N-(piperidin-4-yl)pyridin-3-amine hydrochloride

• ChemBase ID: 267933
• Molecular Formular: C10H16ClN3
• Molecular Mass: 213.70714
• Monoisotopic Mass: 213.10327521
• SMILES: N1CCC(Nc2cnccc2)CC1.Cl
• Canonical SMILES: N1CCC(CC1)Nc1cccnc1.Cl
• InChI: InChI=1S/C10H15N3.ClH/c1-2-10(8-12-5-1)13-9-3-6-11-7-4-9;/h1-2,5,8-9,11,13H,3-4,6-7H2;1H
• InChIKey: OJHWOCGCRBTMAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(piperidin-4-yl)pyridin-3-amine hydrochloride
• IUPAC Traditional name: N-(piperidin-4-yl)pyridin-3-amine hydrochloride
• Synonyms: N-(piperidin-4-yl)pyridin-3-amine hydrochloride

Database IDs

• MDL Number: MFCD16547681
• PubChem SID: 164323843
• PubChem CID: 25242057

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6140654
• LogD (pH = 7.4): -2.6285462
• Log P: -0.12789029
• Molar Refractivity: 54.2513 cm^3
• Polarizability: 20.57984 Å^3
• Polar Surface Area: 36.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 279 - 281°C
• Hydrophobicity(logP): 0.728

Product Information

• Purity: 95%