4-(cyclohexylmethoxy)piperidine

• ChemBase ID: 283222
• Molecular Formular: C12H23NO
• Molecular Mass: 197.31712
• Monoisotopic Mass: 197.17796436
• SMILES: N1CCC(OCC2CCCCC2)CC1
• Canonical SMILES: C1CCC(CC1)COC1CCNCC1
• InChI: InChI=1S/C12H23NO/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h11-13H,1-10H2
• InChIKey: YEYURFMTLRXGBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclohexylmethoxy)piperidine
• IUPAC Traditional name: 4-(cyclohexylmethoxy)piperidine
• Synonyms: 4-(cyclohexylmethoxy)piperidine

Database IDs

• MDL Number: MFCD06246549
• PubChem SID: 180668753
• PubChem CID: 26188599

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.337344
• LogD (pH = 7.4): -0.648938
• Log P: 1.8825909
• Molar Refractivity: 58.9139 cm^3
• Polarizability: 23.599113 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.074

Product Information

• Purity: 95%