4-(cycloheptyloxy)piperidine hydrochloride

• ChemBase ID: 266687
• Molecular Formular: C12H24ClNO
• Molecular Mass: 233.77806
• Monoisotopic Mass: 233.15464207
• SMILES: N1CCC(OC2CCCCCC2)CC1.Cl
• Canonical SMILES: C1CCCC(CC1)OC1CCNCC1.Cl
• InChI: InChI=1S/C12H23NO.ClH/c1-2-4-6-11(5-3-1)14-12-7-9-13-10-8-12;/h11-13H,1-10H2;1H
• InChIKey: IEEVHELDHMCJLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cycloheptyloxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(cycloheptyloxy)piperidine hydrochloride
• Synonyms: 4-(cycloheptyloxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD16040031
• PubChem SID: 164322597
• PubChem CID: 47002792

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2077872
• LogD (pH = 7.4): -0.51936543
• Log P: 2.0121467
• Molar Refractivity: 58.7841 cm^3
• Polarizability: 23.599113 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 260 - 262°C
• Hydrophobicity(logP): 2.014

Product Information

• Purity: 95%