4-(oxan-3-yl)piperidine hydrochloride

• ChemBase ID: 249122
• Molecular Formular: C10H20ClNO
• Molecular Mass: 205.7249
• Monoisotopic Mass: 205.12334195
• SMILES: N1CCC(C2COCCC2)CC1.Cl
• Canonical SMILES: N1CCC(CC1)C1CCCOC1.Cl
• InChI: InChI=1S/C10H19NO.ClH/c1-2-10(8-12-7-1)9-3-5-11-6-4-9;/h9-11H,1-8H2;1H
• InChIKey: QCDVOBQAEDPGLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(oxan-3-yl)piperidine hydrochloride
• IUPAC Traditional name: 4-(oxan-3-yl)piperidine hydrochloride
• Synonyms: 4-(oxan-3-yl)piperidine hydrochloride

Database IDs

• PubChem SID: 164305032
• PubChem CID: 71758673

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3000338
• LogD (pH = 7.4): -1.8431107
• Log P: 0.9315319
• Molar Refractivity: 50.0059 cm^3
• Polarizability: 19.910645 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.086

Product Information

• Purity: 95%