1-(cyclopent-1-ene-1-carbonyl)-N-(3,4-dimethylphenyl)piperidin-3-amine

• ChemBase ID: 506049
• Molecular Formular: C19H26N2O
• Molecular Mass: 298.42254
• Monoisotopic Mass: 298.20451346
• SMILES: N1(C(=O)C2=CCCC2)CC(Nc2cc(c(cc2)C)C)CCC1
• Canonical SMILES: O=C(C1=CCCC1)N1CCCC(C1)Nc1ccc(c(c1)C)C
• InChI: InChI=1S/C19H26N2O/c1-14-9-10-17(12-15(14)2)20-18-8-5-11-21(13-18)19(22)16-6-3-4-7-16/h6,9-10,12,18,20H,3-5,7-8,11,13H2,1-2H3
• InChIKey: GYIDGFXXKGTVON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopent-1-ene-1-carbonyl)-N-(3,4-dimethylphenyl)piperidin-3-amine
• IUPAC Traditional name: 1-(cyclopent-1-ene-1-carbonyl)-N-(3,4-dimethylphenyl)piperidin-3-amine
• Synonyms: 1-(1-cyclopenten-1-ylcarbonyl)-N-(3,4-dimethylphenyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.5697944
• LogD (pH = 7.4): 3.7013264
• Log P: 3.7032914
• Molar Refractivity: 93.3128 cm^3
• Polarizability: 34.774483 Å^3
• Polar Surface Area: 32.34 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: 4.3
• LOG S: -5.38
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 3