3-[2-(piperidin-4-yl)ethyl]pyridine

• ChemBase ID: 245860
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1CCC(CCc2cnccc2)CC1
• Canonical SMILES: N1CCC(CC1)CCc1cccnc1
• InChI: InChI=1S/C12H18N2/c1-2-12(10-14-7-1)4-3-11-5-8-13-9-6-11/h1-2,7,10-11,13H,3-6,8-9H2
• InChIKey: ZBGGTPZQCAWJHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(piperidin-4-yl)ethyl]pyridine
• IUPAC Traditional name: 3-[2-(piperidin-4-yl)ethyl]pyridine
• Synonyms: 3-[2-(piperidin-4-yl)ethyl]pyridine

Database IDs

• MDL Number: MFCD18260067
• PubChem SID: 164301770
• PubChem CID: 71757816

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7647154
• LogD (pH = 7.4): -1.031058
• Log P: 1.7497756
• Molar Refractivity: 58.5241 cm^3
• Polarizability: 23.066536 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.904

Product Information

• Purity: 95%