3-propoxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine

• ChemBase ID: 390115
• Molecular Formular: C18H27NO
• Molecular Mass: 273.41308
• Monoisotopic Mass: 273.20926449
• SMILES: N1(C2Cc3c(CC2)cccc3)CC(OCCC)CCC1
• Canonical SMILES: CCCOC1CCCN(C1)C1CCc2c(C1)cccc2
• InChI: InChI=1S/C18H27NO/c1-2-12-20-18-8-5-11-19(14-18)17-10-9-15-6-3-4-7-16(15)13-17/h3-4,6-7,17-18H,2,5,8-14H2,1H3
• InChIKey: SCBWZQBYFRWOSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-propoxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine
• IUPAC Traditional name: 3-propoxy-1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidine
• Synonyms: 3-propoxy-1-(1,2,3,4-tetrahydro-2-naphthalenyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.6466811
• LogD (pH = 7.4): 1.8871717
• Log P: 4.0454473
• Molar Refractivity: 84.4638 cm^3
• Polarizability: 33.063816 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.17
• LOG S: -3.75
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 4