1-(3-chlorophenyl)-4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]piperazine

• ChemBase ID: 595233
• Molecular Formular: C24H30ClN3
• Molecular Mass: 395.9681
• Monoisotopic Mass: 395.21282566
• SMILES: N1(C2Cc3c(C2)cccc3)CC(N2CCN(c3cc(Cl)ccc3)CC2)CCC1
• Canonical SMILES: Clc1cccc(c1)N1CCN(CC1)C1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C24H30ClN3/c25-21-7-3-8-22(17-21)26-11-13-27(14-12-26)23-9-4-10-28(18-23)24-15-19-5-1-2-6-20(19)16-24/h1-3,5-8,17,23-24H,4,9-16,18H2
• InChIKey: SLYNIZCAGQGYFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-chlorophenyl)-4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]piperazine
• IUPAC Traditional name: 1-(3-chlorophenyl)-4-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]piperazine
• Synonyms: 1-(3-chlorophenyl)-4-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5166552
• LogD (pH = 7.4): 2.7507448
• Log P: 5.1294527
• Molar Refractivity: 118.9192 cm^3
• Polarizability: 45.754635 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.93
• LOG S: -4.74
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 3