4-(oxan-4-yloxy)piperidine hydrochloride

• ChemBase ID: 277746
• Molecular Formular: C10H20ClNO2
• Molecular Mass: 221.7243
• Monoisotopic Mass: 221.11825657
• SMILES: N1CCC(OC2CCOCC2)CC1.Cl
• Canonical SMILES: N1CCC(CC1)OC1CCOCC1.Cl
• InChI: InChI=1S/C10H19NO2.ClH/c1-5-11-6-2-9(1)13-10-3-7-12-8-4-10;/h9-11H,1-8H2;1H
• InChIKey: VKEAVTCLWUVOEB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19982417
• PubChem SID: 164333656
• PubChem CID: 53534848

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4904401
• LogD (pH = 7.4): -2.8020184
• Log P: -0.2705063
• Molar Refractivity: 51.6444 cm^3
• Polarizability: 20.602833 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.944

Product Information

• Purity: 95%