CAS 115-46-8|azacyclonol|diphenyl(piperidin-4-yl)methanol|diphenyl(piperidin-4-yl)methanol|Azacyclonol|alpha-(Piperidin-4-yl)benzhydrol|Diphenyl(piperidin-4-yl)methanol|4-[Hydroxy(diphenyl)methyl]pi...

General Information

Structure

Molecular Formula

C₁₈H₂₁NO

Molecular Mass

267.36544

Exact Mass

267.1623143

Charge

InChI

InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2

InChIKey

ZMISODWVFHHWNR-UHFFFAOYSA-N

Canonic Smiles

OC(c1ccccc1)(c1ccccc1)C1CCNCC1

Isomeric Smiles

N1CCC(C(c2ccccc2)(c2ccccc2)O)CC1

Calculated Properties

JChem

Acid pKa

13.21939

H Acceptors

H Donor

LogD (pH = 5.5)

-0.3413978

LogD (pH = 7.4)

0.33140144

Log P

2.8795443

Molar Refractivity

82.2217

Polarizability

32.43273

Polar Surface Area

32.26

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

azacyclonol diphenyl(piperidin-4-yl)methanol

Synonyms

diphenyl(piperidin-4-yl)methanol4-[Hydroxy(diphenyl)methyl]piperidineDiphenyl(piperidin-4-yl)methanolalpha-(Piperidin-4-yl)benzhydrolAzacyclonolMER-17, MDL-4,829AzacyclonolAtaractanFrenotonPsychosan4-(Hydroxydiphenylmethyl)piperidineMDL 4829α,α-Diphenyl-4-piperidinemethanolCalmeranDiphenyl-4-piperidylmethanolγ-Pipradol4-(Diphenylhydroxymethyl)piperidineα-(4-Piperidyl)benzhydrolMER 17AzacyclonolAlpha-4-PiperidylbenzhydrolGamma-Pipradrol

IUPAC name

diphenyl(piperidin-4-yl)methanol

Names and Identifiers

Registration numbers

CAS Number

PubChem CID

PubChem SID

CHEMBL

Chemspider ID

Wikipedia Title

Unique Ingredient Identifier

2MMR990PEM

MDL Number

MFCD00066980

Registration numbers

Properties

Safety Information

Storage Warning

Irritant

MSDS Link

Download link

Pharmacology Properties

Admin Routes

Oral

Legal Status

Rx-only

Mechanism of Action

Antagonist to mescaline and LSD

Target

Others

Product Information

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Wikipedia

Azacyclonol

TRC

P481995

α-(4-Piperidyl)benzhydrol is a key intermediate in the synthesis of Fexofenadine (F322490).

Molecule Details

References

PubChem Literature

From Data Sources

• Leues, R., et al.: Pharmacol. Ther., 66, 413 (1994)

• Berthon, B., et al.: Biochem. Pharmcol., 47, 789 (1994)

• Di Giacomo, B., et al.: Farmco, 54, 600 (1994)

• U.S. Pat., 1959, 2 898 339; CA, 54, 581, (derivs)

• U.K. Pat., 1958, 801 712; CA, 53, 7204, (synth)

• Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 566

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, PIY750

• Brown, B.A. et al., J. Pharmacol. Exp. Ther., 1956, 118, 153, (pharmacol)

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

IUPAC Traditional name

azacyclonol diphenyl(piperidin-4-yl)methanol

Synonyms

IUPAC name

diphenyl(piperidin-4-yl)methanol

Registration numbers

CAS Number

PubChem CID

PubChem SID

CHEMBL

Chemspider ID

Wikipedia Title

Unique Ingredient Identifier

2MMR990PEM

MDL Number

MFCD00066980

Properties

Safety Information

Storage Warning

Irritant

MSDS Link

Download link

Pharmacology Properties

Admin Routes

Oral

Legal Status

Rx-only

Mechanism of Action

Antagonist to mescaline and LSD

Target

Others

Product Information

Molecule Details

Wikipedia

Azacyclonol

TRC

P481995

α-(4-Piperidyl)benzhydrol is a key intermediate in the synthesis of Fexofenadine (F322490).

References

PubChem Literature

From Data Sources

• Leues, R., et al.: Pharmacol. Ther., 66, 413 (1994)

• Berthon, B., et al.: Biochem. Pharmcol., 47, 789 (1994)

• Di Giacomo, B., et al.: Farmco, 54, 600 (1994)

• U.S. Pat., 1959, 2 898 339; CA, 54, 581, (derivs)

• U.K. Pat., 1958, 801 712; CA, 53, 7204, (synth)

• Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 566

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, PIY750

• Brown, B.A. et al., J. Pharmacol. Exp. Ther., 1956, 118, 153, (pharmacol)

Bioactivity

PubChem BioAssay

Molecule

ID:76871