1-(pyridin-3-ylmethyl)piperidin-3-amine

• ChemBase ID: 307642
• Molecular Formular: C11H17N3
• Molecular Mass: 191.27278
• Monoisotopic Mass: 191.14224756
• SMILES: N1(Cc2cnccc2)CC(N)CCC1
• Canonical SMILES: NC1CCCN(C1)Cc1cccnc1
• InChI: InChI=1S/C11H17N3/c12-11-4-2-6-14(9-11)8-10-3-1-5-13-7-10/h1,3,5,7,11H,2,4,6,8-9,12H2
• InChIKey: OJBZNCNRSNSXCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(pyridin-3-ylmethyl)piperidin-3-amine
• IUPAC Traditional name: 1-(pyridin-3-ylmethyl)piperidin-3-amine
• Synonyms: 1-(3-pyridinylmethyl)-3-piperidinamine

Database IDs

• CAS Number: 1158689-23-6
• MDL Number: MFCD12197636

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5169652
• LogD (pH = 7.4): -1.8577497
• Log P: 0.36555088
• Molar Refractivity: 57.6048 cm^3
• Polarizability: 22.817152 Å^3
• Polar Surface Area: 42.15 Å^2