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

• ChemBase ID: 124421
• Molecular Formular: C11H19Cl2N3
• Molecular Mass: 264.19466
• Monoisotopic Mass: 263.09560298
• SMILES: N1(Cc2cnccc2)CC(N)CCC1.Cl.Cl
• Canonical SMILES: NC1CCCN(C1)Cc1cccnc1.Cl.Cl
• InChI: InChI=1S/C11H17N3.2ClH/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;2*1H
• InChIKey: CUUMJOMHAXBASJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162218774
• PubChem CID: 45786846

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
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl