1-ethyl-N-phenylpiperidin-3-amine

• ChemBase ID: 845013
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(CC(Nc2ccccc2)CCC1)CC
• Canonical SMILES: CCN1CCCC(C1)Nc1ccccc1
• InChI: InChI=1S/C13H20N2/c1-2-15-10-6-9-13(11-15)14-12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3
• InChIKey: ADJREVVLQMNPHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-N-phenylpiperidin-3-amine
• IUPAC Traditional name: 1-ethyl-N-phenylpiperidin-3-amine
• Synonyms: 1-ethyl-N-phenyl-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9674912
• LogD (pH = 7.4): 0.5687968
• Log P: 2.287041
• Molar Refractivity: 66.2307 cm^3
• Polarizability: 25.19939 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 2.97
• LOG S: -2.18
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 2