1-(2-phenylethyl)piperidin-3-amine

• ChemBase ID: 622836
• Molecular Formular: C13H20N2
• Molecular Mass: 204.3113
• Monoisotopic Mass: 204.16264865
• SMILES: N1(CC(N)CCC1)CCc1ccccc1
• Canonical SMILES: NC1CCCN(C1)CCc1ccccc1
• InChI: InChI=1S/C13H20N2/c14-13-7-4-9-15(11-13)10-8-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,14H2
• InChIKey: ALZNTTNEPUYCSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-phenylethyl)piperidin-3-amine
• IUPAC Traditional name: 1-(2-phenylethyl)piperidin-3-amine
• Synonyms: 1-(2-phenylethyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): -0.6086534
• Log P: 1.8718845
• Molar Refractivity: 64.5167 cm^3
• Polarizability: 25.522182 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7995358

供应商提供(Chembridge)

• Log P: 1.93
• LOG S: -1.33
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3
• H Acceptors: 2
• H Donor: 1