5-chloro-N-(piperidin-4-yl)pyridin-2-amine dihydrochloride

• ChemBase ID: 262511
• Molecular Formular: C10H16Cl3N3
• Molecular Mass: 284.61314
• Monoisotopic Mass: 283.04098057
• SMILES: n1c(NC2CCNCC2)ccc(c1)Cl.Cl.Cl
• Canonical SMILES: Clc1ccc(nc1)NC1CCNCC1.Cl.Cl
• InChI: InChI=1S/C10H14ClN3.2ClH/c11-8-1-2-10(13-7-8)14-9-3-5-12-6-4-9;;/h1-2,7,9,12H,3-6H2,(H,13,14);2*1H
• InChIKey: OPTCWXWDTIFYKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-N-(piperidin-4-yl)pyridin-2-amine dihydrochloride
• IUPAC Traditional name: 5-chloro-N-(piperidin-4-yl)pyridin-2-amine dihydrochloride
• Synonyms: 5-chloro-N-(piperidin-4-yl)pyridin-2-amine dihydrochloride

Database IDs

• MDL Number: MFCD12913185
• PubChem SID: 164318421
• PubChem CID: 45792099

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.1949475
• LogD (pH = 7.4): -1.425471
• Log P: 1.070612
• Molar Refractivity: 59.3696 cm^3
• Polarizability: 22.445356 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 282 - 284°C
• Hydrophobicity(logP): 1.572

Product Information

• Purity: 95%