1-ethyl-N-[2-(pyridin-2-yl)ethyl]piperidin-4-amine

• ChemBase ID: 310383
• Molecular Formular: C14H23N3
• Molecular Mass: 233.35252
• Monoisotopic Mass: 233.18919775
• SMILES: N1(CCC(CC1)NCCc1ncccc1)CC
• Canonical SMILES: CCN1CCC(CC1)NCCc1ccccn1
• InChI: InChI=1S/C14H23N3/c1-2-17-11-7-14(8-12-17)16-10-6-13-5-3-4-9-15-13/h3-5,9,14,16H,2,6-8,10-12H2,1H3
• InChIKey: YXNCZCFSYQMIKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-[2-(pyridin-2-yl)ethyl]piperidin-4-amine
• IUPAC Traditional name: 1-ethyl-N-[2-(pyridin-2-yl)ethyl]piperidin-4-amine
• Synonyms: 1-ethyl-N-(2-pyridin-2-ylethyl)piperidin-4-amine

Database IDs

• MDL Number: MFCD09055374

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.394264
• LogD (pH = 7.4): -2.1027572
• Log P: 1.0160209
• Molar Refractivity: 71.526 cm^3
• Polarizability: 28.2795 Å^3
• Polar Surface Area: 28.16 Å^2