4-methoxy-3-{[(2S)-2-(pyridin-3-yl)piperidin-1-yl]methyl}benzaldehyde|4-methoxy-3-{[(2S)-2-(pyridin-3-yl)piperidin-1-yl]methyl}benzaldehyde|(S)-4-methoxy-3-((2-(pyridin-3-yl)piperidin-1-yl)methyl)be...

General Information

Structure

Molecular Formula

C₁₉H₂₂N₂O₂

Molecular Mass

310.39018

Exact Mass

310.16812795

Charge

InChI

InChI=1S/C19H22N2O2/c1-23-19-8-7-15(14-22)11-17(19)13-21-10-3-2-6-18(21)16-5-4-9-20-12-16/h4-5,7-9,11-12,14,18H,2-3,6,10,13H2,1H3/t18-/m0/s1

InChIKey

JFLRQHFNVMTJEA-SFHVURJKSA-N

Canonic Smiles

O=Cc1ccc(c(c1)CN1CCCC[C@H]1c1cccnc1)OC

Isomeric Smiles

N1(Cc2c(ccc(c2)C=O)OC)[C@H](c2cnccc2)CCCC1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.4201502

LogD (pH = 7.4)

2.7532706

Log P

2.8864076

Molar Refractivity

91.9158

Polarizability

35.27932

Polar Surface Area

42.43

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

4-methoxy-3-{[(2S)-2-(pyridin-3-yl)piperidin-1-yl]methyl}benzaldehyde

IUPAC name

4-methoxy-3-{[(2S)-2-(pyridin-3-yl)piperidin-1-yl]methyl}benzaldehyde

Synonyms

(S)-4-methoxy-3-((2-(pyridin-3-yl)piperidin-1-yl)methyl)benzaldehyde

Names and Identifiers

Registration numbers

PubChem CID

904550

PubChem SID

162107387

Registration numbers

Properties

Product Information

Classification

Derivatives & analogs of Natural Compounds

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:119093