3-(oxolan-3-yl)piperidine hydrochloride

• ChemBase ID: 241745
• Molecular Formular: C9H18ClNO
• Molecular Mass: 191.69832
• Monoisotopic Mass: 191.10769188
• SMILES: N1CC(C2COCC2)CCC1.Cl
• Canonical SMILES: C1CCC(CN1)C1COCC1.Cl
• InChI: InChI=1S/C9H17NO.ClH/c1-2-8(6-10-4-1)9-3-5-11-7-9;/h8-10H,1-7H2;1H
• InChIKey: VJZVTPFSSXGBRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(oxolan-3-yl)piperidine hydrochloride
• IUPAC Traditional name: 3-(oxolan-3-yl)piperidine hydrochloride
• Synonyms: 3-(oxolan-3-yl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD22565911
• PubChem SID: 164297655
• PubChem CID: 71756857

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.669391
• LogD (pH = 7.4): -2.2928772
• Log P: 0.56491697
• Molar Refractivity: 45.3279 cm^3
• Polarizability: 18.067194 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.657

Product Information

• Purity: 95%