N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine

• ChemBase ID: 695027
• Molecular Formular: C13H21N3
• Molecular Mass: 219.32594
• Monoisotopic Mass: 219.17354769
• SMILES: N(Cc1ccncc1)(C1CNCCC1)CC
• Canonical SMILES: CCN(C1CCCNC1)Cc1ccncc1
• InChI: InChI=1S/C13H21N3/c1-2-16(13-4-3-7-15-10-13)11-12-5-8-14-9-6-12/h5-6,8-9,13,15H,2-4,7,10-11H2,1H3
• InChIKey: TVDHNQDQTKWWSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine
• IUPAC Traditional name: N-ethyl-N-(pyridin-4-ylmethyl)piperidin-3-amine
• Synonyms: N-ethyl-N-(4-pyridinylmethyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.117271
• LogD (pH = 7.4): -1.3456248
• Log P: 1.1549392
• Molar Refractivity: 67.128 cm^3
• Polarizability: 26.508942 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.15
• LOG S: 0.53
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 4