4-(piperidin-1-yl)pyridin-3-amine

• ChemBase ID: 274336
• Molecular Formular: C10H15N3
• Molecular Mass: 177.2462
• Monoisotopic Mass: 177.1265975
• SMILES: N1(c2c(N)cncc2)CCCCC1
• Canonical SMILES: Nc1cnccc1N1CCCCC1
• InChI: InChI=1S/C10H15N3/c11-9-8-12-5-4-10(9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7,11H2
• InChIKey: XSBYYLKFVJMUOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(piperidin-1-yl)pyridin-3-amine
• IUPAC Traditional name: 4-(piperidin-1-yl)pyridin-3-amine
• Synonyms: 4-(piperidin-1-yl)pyridin-3-amine

Database IDs

• MDL Number: MFCD10691294
• PubChem SID: 164330246
• PubChem CID: 348638

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.099330015
• LogD (pH = 7.4): -0.034021553
• Log P: 0.88505745
• Molar Refractivity: 55.1721 cm^3
• Polarizability: 20.183773 Å^3
• Polar Surface Area: 42.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.705

Product Information

• Purity: 95%