1-[4-(4-methoxyphenyl)oxane-4-carbonyl]piperidine

• ChemBase ID: 219963
• Molecular Formular: C18H25NO3
• Molecular Mass: 303.396
• Monoisotopic Mass: 303.18344367
• SMILES: C(=O)(C1(c2ccc(cc2)OC)CCOCC1)N1CCCCC1
• Canonical SMILES: COc1ccc(cc1)C1(CCOCC1)C(=O)N1CCCCC1
• InChI: InChI=1S/C18H25NO3/c1-21-16-7-5-15(6-8-16)18(9-13-22-14-10-18)17(20)19-11-3-2-4-12-19/h5-8H,2-4,9-14H2,1H3
• InChIKey: DNMIDOYJVROIRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[4-(4-methoxyphenyl)oxane-4-carbonyl]piperidine
• IUPAC Traditional name: 1-[4-(4-methoxyphenyl)oxane-4-carbonyl]piperidine

Database IDs

• PubChem SID: 164275873
• PubChem CID: 845202

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2205825
• LogD (pH = 7.4): 2.2205827
• Log P: 2.2205827
• Molar Refractivity: 86.2112 cm^3
• Polarizability: 33.541805 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds