3-(oxolan-3-ylmethyl)piperidine hydrochloride

• ChemBase ID: 246309
• Molecular Formular: C10H20ClNO
• Molecular Mass: 205.7249
• Monoisotopic Mass: 205.12334195
• SMILES: N1CC(CC2COCC2)CCC1.Cl
• Canonical SMILES: C1CCC(CN1)CC1COCC1.Cl
• InChI: InChI=1S/C10H19NO.ClH/c1-2-9(7-11-4-1)6-10-3-5-12-8-10;/h9-11H,1-8H2;1H
• InChIKey: WHJIRONEFUQBKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164302219
• PubChem CID: 71757948

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2248895
• LogD (pH = 7.4): -1.8505555
• Log P: 1.0094856
• Molar Refractivity: 49.9289 cm^3
• Polarizability: 19.910645 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.276

Product Information

• Purity: 95%