3-(1-methylpiperidin-2-yl)pyridin-2-amine hydrochloride

• ChemBase ID: 180672
• Molecular Formular: C11H18ClN3
• Molecular Mass: 227.73372
• Monoisotopic Mass: 227.11892527
• SMILES: c1(C2N(C)CCCC2)c(nccc1)N.Cl
• Canonical SMILES: CN1CCCCC1c1cccnc1N.Cl
• InChI: InChI=1S/C11H17N3.ClH/c1-14-8-3-2-6-10(14)9-5-4-7-13-11(9)12;/h4-5,7,10H,2-3,6,8H2,1H3,(H2,12,13);1H
• InChIKey: AHJNWWKKMTYGMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-methylpiperidin-2-yl)pyridin-2-amine hydrochloride
• IUPAC Traditional name: 3-(1-methylpiperidin-2-yl)pyridin-2-amine hydrochloride

Database IDs

• PubChem SID: 164236582
• PubChem CID: 17255414

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.5630989
• LogD (pH = 7.4): 0.20840845
• Log P: 1.3726349
• Molar Refractivity: 59.2699 cm^3
• Polarizability: 22.420444 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Derivatives of Natural Compounds