4-(2-methoxyphenoxy)-1-(2-methyloxolane-2-carbonyl)piperidine

• ChemBase ID: 652567
• Molecular Formular: C18H25NO4
• Molecular Mass: 319.3954
• Monoisotopic Mass: 319.17835829
• SMILES: C(=O)(N1CCC(Oc2c(OC)cccc2)CC1)C1(OCCC1)C
• Canonical SMILES: COc1ccccc1OC1CCN(CC1)C(=O)C1(C)CCCO1
• InChI: InChI=1S/C18H25NO4/c1-18(10-5-13-22-18)17(20)19-11-8-14(9-12-19)23-16-7-4-3-6-15(16)21-2/h3-4,6-7,14H,5,8-13H2,1-2H3
• InChIKey: YOYWIMVITLVTPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-methoxyphenoxy)-1-(2-methyloxolane-2-carbonyl)piperidine
• IUPAC Traditional name: 4-(2-methoxyphenoxy)-1-(2-methyloxolane-2-carbonyl)piperidine
• Synonyms: 4-(2-methoxyphenoxy)-1-[(2-methyltetrahydro-2-furanyl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7880019
• LogD (pH = 7.4): 1.7880019
• Log P: 1.7880019
• Molar Refractivity: 87.1597 cm^3
• Polarizability: 34.2352 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.96
• LOG S: -3.2
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 4