CAS 144222-22-0|tert-butyl 4-(aminomethyl)piperidine-1-carboxylate|tert-butyl 4-(aminomethyl)piperidine-1-carboxylate|tert-Butyl 4-(aminomethyl)piperidine-1-carboxylate|tert-butyl 4-(aminomethyl)tet...

General Information

Structure

Molecular Formula

C₁₁H₂₂N₂O₂

Molecular Mass

214.30458

Exact Mass

214.16812795

Charge

InChI

InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8,12H2,1-3H3

InChIKey

KLKBCNDBOVRQIJ-UHFFFAOYSA-N

Canonic Smiles

NCC1CCN(CC1)C(=O)OC(C)(C)C

Isomeric Smiles

C(=O)(N1CCC(CC1)CN)OC(C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.2534723

LogD (pH = 7.4)

-1.6409833

Log P

0.7620931

Molar Refractivity

59.8883

Polarizability

23.692034

Polar Surface Area

55.56

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

tert-butyl 4-(aminomethyl)piperidine-1-carboxylate

IUPAC name

tert-butyl 4-(aminomethyl)piperidine-1-carboxylate

Synonyms

tert-Butyl 4-(aminomethyl)piperidine-1-carboxylatetert-butyl 4-(aminomethyl)tetrahydropyridine-1(2H)-carboxylate1-Boc-4-(aminomethyl)piperidine4-Aminomethylpiperidine-1-carboxylic Acid tert-Butyl Ester4-Aminomethyl-1-N-(tert-butoxycarbonyl)piperidine1-tert-Butoxycarbonyl-4-aminomethylpiperidine1-tert-Butoxycarbonyl-4-piperidinemethanamine[(1-(tert-Butoxycarbonyl)piperidin-4-yl)methyl]amine4-Aminomethylpiperidine-1-carboxylic Acid 1,1-Dimethylethyl Ester1,1-Dimethylethyl 4-(aminomethyl)-1-piperidinecarboxylateN-(tert-Butoxycarbonyl)-4-aminomethylpiperidine1-Boc-4-(氨基甲基)哌啶4-Aminomethyl-1-piperidinecarboxylic acid tert-Butyl Ester4-(Aminomethyl)-N-boc-piperidine4-Aminomethyl-N-tert-butyloxycarbonylpiperidinetert-Butyl 4-Aminomethylpiperidine-1-carboxylateN-Boc-4-(aminomethyl)piperidine1-BOC-4-氨甲基哌啶1-Boc-4-piperidylmethylamine4-(氨甲基)-1-叔丁氧羰基哌啶4-(Aminomethyl)-1-Boc-piperidine1-Boc-4-(aminomethyl)piperidine1-叔丁氧羰基-4-氨甲基哌啶4-氨基甲基-1-Boc-哌啶4-Aminomethyl-1-Boc-piperidine4-Aminomethyl-piperidine-1-carboxylic acid tert-butyl ester4-(Aminomethyl)piperidine, N1-BOC protected 97%4-(Aminomethyl)-1-(tert-butoxycarbonyl)piperidinetert-Butyl 4-(aminomethyl)piperidine-1-carboxylate1-Boc-4-(Aminomethyl)piperidine

Names and Identifiers

Registration numbers

CAS Number

144222-22-0

MDL Number

MFCD01076207

PubChem SID

2488312024873343160998146

Beilstein Number

7424981

PubChem CID

736817

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Sigma Aldrich

641472

Packaging
5, 25 g in glass bottle
Application
Precursor in the preparation of a variety of different protein agonists or antagonists including:
• Kinesin spindle protein inhibitors with potential anticancer activity1
• Orphan G-protein coupled receptor GPR119 agonist with antidiabetic potential2
• Pim-1 inhibitors3
• Aspartic acid protease inhibitors4Reactant involved in enantioselective synthesis of N-alkyl terminal aziridines5

TRC

B620970

N-Boc-4-(aminomethyl)piperidine is a protected 4-substituted piperidinecarboxylate used in the preparation of orally active platelet-activating factor antagonists as well as other biologically active compounds.

Molecule Details

References

PubChem Literature

From Data Sources

• Carceller, E. et al.: J. Med. Chem., 39, 487 (1996)

References

Bioactivity

PubChem BioAssay

Bioactivity