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

• ChemBase ID: 306953
• Molecular Formular: C12H18N2
• Molecular Mass: 190.28472
• Monoisotopic Mass: 190.14699859
• SMILES: N1C(CCc2ncccc2)CCCC1
• Canonical SMILES: C1CCC(NC1)CCc1ccccn1
• InChI: InChI=1S/C12H18N2/c1-3-9-13-11(5-1)7-8-12-6-2-4-10-14-12/h1,3,5,9,12,14H,2,4,6-8,10H2
• InChIKey: XVZJIQLZEGNILT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 6312-04-5
• MDL Number: MFCD09864270

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4051317
• LogD (pH = 7.4): -0.849815
• Log P: 1.8312012
• Molar Refractivity: 57.8935 cm^3
• Polarizability: 23.066927 Å^3
• Polar Surface Area: 24.92 Å^2