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

• ChemBase ID: 247183
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1CCC(CCc2ccncc2)CC1
• Canonical SMILES: N1CCC(CC1)CCc1ccncc1
• InChI: InChI=1S/C12H18N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h3-4,7-8,12,14H,1-2,5-6,9-10H2
• InChIKey: BZLMRWRITNQGQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18260066
• PubChem SID: 164303093
• PubChem CID: 57017625

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8382462
• LogD (pH = 7.4): -1.0335459
• Log P: 1.7497756
• Molar Refractivity: 58.5241 cm^3
• Polarizability: 23.065016 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%