1-(3-chlorophenyl)-4-(piperidin-3-yl)piperazine

• ChemBase ID: 571341
• Molecular Formular: C15H22ClN3
• Molecular Mass: 279.80828
• Monoisotopic Mass: 279.1502254
• SMILES: N1(c2cc(Cl)ccc2)CCN(CC1)C1CNCCC1
• Canonical SMILES: Clc1cccc(c1)N1CCN(CC1)C1CCCNC1
• InChI: InChI=1S/C15H22ClN3/c16-13-3-1-4-14(11-13)18-7-9-19(10-8-18)15-5-2-6-17-12-15/h1,3-4,11,15,17H,2,5-10,12H2
• InChIKey: SUQBCRDJLRFDCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-chlorophenyl)-4-(piperidin-3-yl)piperazine
• IUPAC Traditional name: 1-(3-chlorophenyl)-4-(piperidin-3-yl)piperazine
• Synonyms: 1-(3-chlorophenyl)-4-(3-piperidinyl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.0475769
• LogD (pH = 7.4): 0.19142844
• Log P: 2.633615
• Molar Refractivity: 81.2771 cm^3
• Polarizability: 31.500599 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.84
• LOG S: -2.66
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 2