1-[3-(2-methylphenyl)phenyl]-N-[(2R)-oxolan-2-ylmethyl]piperidin-4-amine

• ChemBase ID: 428895
• Molecular Formular: C23H30N2O
• Molecular Mass: 350.4971
• Monoisotopic Mass: 350.23581359
• SMILES: N1(c2cc(c3c(C)cccc3)ccc2)CCC(NC[C@@H]2OCCC2)CC1
• Canonical SMILES: Cc1ccccc1c1cccc(c1)N1CCC(CC1)NC[C@H]1CCCO1
• InChI: InChI=1S/C23H30N2O/c1-18-6-2-3-10-23(18)19-7-4-8-21(16-19)25-13-11-20(12-14-25)24-17-22-9-5-15-26-22/h2-4,6-8,10,16,20,22,24H,5,9,11-15,17H2,1H3/t22-/m1/s1
• InChIKey: XBOVVQXRYXUJGI-JOCHJYFZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(2-methylphenyl)phenyl]-N-[(2R)-oxolan-2-ylmethyl]piperidin-4-amine
• IUPAC Traditional name: 1-[3-(2-methylphenyl)phenyl]-N-[(2R)-oxolan-2-ylmethyl]piperidin-4-amine
• Synonyms: 1-(2'-methyl-3-biphenylyl)-N-[(2R)-tetrahydro-2-furanylmethyl]-4-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0687171
• LogD (pH = 7.4): 1.8600811
• Log P: 4.3042836
• Molar Refractivity: 109.0751 cm^3
• Polarizability: 43.453682 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.46
• LOG S: -4.56
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 5