2-(2-propoxyethyl)piperidine hydrochloride

• ChemBase ID: 21113
• Molecular Formular: C10H22ClNO
• Molecular Mass: 207.74078
• Monoisotopic Mass: 207.13899201
• SMILES: N1C(CCOCCC)CCCC1.Cl
• Canonical SMILES: CCCOCCC1CCCCN1.Cl
• InChI: InChI=1S/C10H21NO.ClH/c1-2-8-12-9-6-10-5-3-4-7-11-10;/h10-11H,2-9H2,1H3;1H
• InChIKey: DPXPBSZVLDZKEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-propoxyethyl)piperidine hydrochloride
• IUPAC Traditional name: 2-(2-propoxyethyl)piperidine hydrochloride
• Synonyms: 2-(2-Piperidinyl)ethyl propyl ether hydrochloride

Database IDs

• MDL Number: MFCD12405052
• PubChem SID: 160984420
• PubChem CID: 46735739

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6219957
• LogD (pH = 7.4): -1.1650531
• Log P: 1.6095693
• Molar Refractivity: 51.6871 cm^3
• Polarizability: 20.644295 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false