1-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]-2-methylpiperidine

• ChemBase ID: 756035
• Molecular Formular: C18H26N2
• Molecular Mass: 270.41244
• Monoisotopic Mass: 270.20959884
• SMILES: N1(C2Cc3c(C2)cccc3)CC(N2C(C)CCCC2)C1
• Canonical SMILES: CC1CCCCN1C1CN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C18H26N2/c1-14-6-4-5-9-20(14)18-12-19(13-18)17-10-15-7-2-3-8-16(15)11-17/h2-3,7-8,14,17-18H,4-6,9-13H2,1H3
• InChIKey: HZWFADICECYKQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]-2-methylpiperidine
• IUPAC Traditional name: 1-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]-2-methylpiperidine
• Synonyms: 1-[1-(2,3-dihydro-1H-inden-2-yl)azetidin-3-yl]-2-methylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.26777533
• LogD (pH = 7.4): 1.858564
• Log P: 3.476787
• Molar Refractivity: 84.6166 cm^3
• Polarizability: 33.188755 Å^3
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.3
• LOG S: -2.13
• Polar Surface Area: 6.48 Å^2
• Rotatable Bonds: 2