1-[1-(methoxymethyl)cyclopropanecarbonyl]-3-phenylpiperazine

• ChemBase ID: 561271
• Molecular Formular: C16H22N2O2
• Molecular Mass: 274.35808
• Monoisotopic Mass: 274.16812795
• SMILES: C1(C(=O)N2CC(NCC2)c2ccccc2)(CC1)COC
• Canonical SMILES: COCC1(CC1)C(=O)N1CCNC(C1)c1ccccc1
• InChI: InChI=1S/C16H22N2O2/c1-20-12-16(7-8-16)15(19)18-10-9-17-14(11-18)13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3
• InChIKey: RUSVNUIJEKBZEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(methoxymethyl)cyclopropanecarbonyl]-3-phenylpiperazine
• IUPAC Traditional name: 1-[1-(methoxymethyl)cyclopropanecarbonyl]-3-phenylpiperazine
• Synonyms: 1-{[1-(methoxymethyl)cyclopropyl]carbonyl}-3-phenylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.34365004
• LogD (pH = 7.4): 1.1467955
• Log P: 1.3635415
• Molar Refractivity: 77.7236 cm^3
• Polarizability: 30.708792 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.86
• LOG S: -1.94
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 4