1-(1-cyclopentylpiperidin-3-yl)-4-(2-methoxyphenyl)piperazine

• ChemBase ID: 577714
• Molecular Formular: C21H33N3O
• Molecular Mass: 343.50622
• Monoisotopic Mass: 343.26236269
• SMILES: N1(CC(N2CCN(c3c(OC)cccc3)CC2)CCC1)C1CCCC1
• Canonical SMILES: COc1ccccc1N1CCN(CC1)C1CCCN(C1)C1CCCC1
• InChI: InChI=1S/C21H33N3O/c1-25-21-11-5-4-10-20(21)23-15-13-22(14-16-23)19-9-6-12-24(17-19)18-7-2-3-8-18/h4-5,10-11,18-19H,2-3,6-9,12-17H2,1H3
• InChIKey: RHZMWLWHCCJREN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclopentylpiperidin-3-yl)-4-(2-methoxyphenyl)piperazine
• IUPAC Traditional name: 1-(1-cyclopentylpiperidin-3-yl)-4-(2-methoxyphenyl)piperazine
• Synonyms: 1-(1-cyclopentyl-3-piperidinyl)-4-(2-methoxyphenyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.034776274
• LogD (pH = 7.4): 0.93129003
• Log P: 3.609649
• Molar Refractivity: 104.6434 cm^3
• Polarizability: 40.65536 Å^3
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.56
• LOG S: -2.57
• Polar Surface Area: 18.95 Å^2
• Rotatable Bonds: 3