1-(1-cyclooctylpiperidin-3-yl)-4-phenylpiperazine

• ChemBase ID: 316221
• Molecular Formular: C23H37N3
• Molecular Mass: 355.55998
• Monoisotopic Mass: 355.2987482
• SMILES: N1(CC(N2CCN(CC2)c2ccccc2)CCC1)C1CCCCCCC1
• Canonical SMILES: C1CCCCC(CC1)N1CCCC(C1)N1CCN(CC1)c1ccccc1
• InChI: InChI=1S/C23H37N3/c1-2-5-12-22(13-6-3-1)26-15-9-14-23(20-26)25-18-16-24(17-19-25)21-10-7-4-8-11-21/h4,7-8,10-11,22-23H,1-3,5-6,9,12-20H2
• InChIKey: CLGUQJFATLHUNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-cyclooctylpiperidin-3-yl)-4-phenylpiperazine
• IUPAC Traditional name: 1-(1-cyclooctylpiperidin-3-yl)-4-phenylpiperazine
• Synonyms: 1-(1-cyclooctyl-3-piperidinyl)-4-phenylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.40306
• LogD (pH = 7.4): 2.063897
• Log P: 5.101026
• Molar Refractivity: 111.9832 cm^3
• Polarizability: 43.70225 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: 4.55
• LOG S: -3.57
• Polar Surface Area: 9.72 Å^2
• Rotatable Bonds: 3