2-(piperidin-4-yl)pyridine

• ChemBase ID: 284019
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: n1c(C2CCNCC2)cccc1
• Canonical SMILES: N1CCC(CC1)c1ccccn1
• InChI: InChI=1S/C10H14N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-3,6,9,11H,4-5,7-8H2
• InChIKey: KVNQCSIGNRPHHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yl)pyridine
• IUPAC Traditional name: 2-(piperidin-4-yl)pyridine
• Synonyms: 2-(piperidin-4-yl)pyridine

Database IDs

• CAS Number: 30532-37-7
• MDL Number: MFCD05189894
• PubChem SID: 180669550
• PubChem CID: 10374750

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2316983
• LogD (pH = 7.4): -1.5003276
• Log P: 0.99052143
• Molar Refractivity: 48.9242 cm^3
• Polarizability: 19.37373 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.846

Product Information

• Purity: 95%; 95+%; 98%