1-[1-(3-cyclopentylpropyl)piperidin-3-yl]-4-phenylpiperazine

• ChemBase ID: 707305
• Molecular Formular: C23H37N3
• Molecular Mass: 355.55998
• Monoisotopic Mass: 355.2987482
• SMILES: N1(C2CN(CCCC3CCCC3)CCC2)CCN(CC1)c1ccccc1
• Canonical SMILES: C1CCC(C1)CCCN1CCCC(C1)N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C23H37N3/c1-2-11-22(12-3-1)25-16-18-26(19-17-25)23-13-7-15-24(20-23)14-6-10-21-8-4-5-9-21/h1-3,11-12,21,23H,4-10,13-20H2
• InChIKey: IBHULDNFJKJQFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(3-cyclopentylpropyl)piperidin-3-yl]-4-phenylpiperazine
• IUPAC Traditional name: 1-[1-(3-cyclopentylpropyl)piperidin-3-yl]-4-phenylpiperazine
• Synonyms: 1-[1-(3-cyclopentylpropyl)-3-piperidinyl]-4-phenylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2241297
• LogD (pH = 7.4): 2.507711
• Log P: 4.8935165
• Molar Refractivity: 112.19 cm^3
• Polarizability: 43.70225 Å^3
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.64
• LOG S: -3.93
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 6