3-[2-(3-methoxypropoxy)ethyl]piperidine hydrochloride

• ChemBase ID: 46424
• Molecular Formular: C11H24ClNO2
• Molecular Mass: 237.76676
• Monoisotopic Mass: 237.14955669
• SMILES: N1CC(CCOCCCOC)CCC1.Cl
• Canonical SMILES: COCCCOCCC1CCCNC1.Cl
• InChI: InChI=1S/C11H23NO2.ClH/c1-13-7-3-8-14-9-5-11-4-2-6-12-10-11;/h11-12H,2-10H2,1H3;1H
• InChIKey: HRGBUHQQXYDFDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(3-methoxypropoxy)ethyl]piperidine hydrochloride
• IUPAC Traditional name: 3-[2-(3-methoxypropoxy)ethyl]piperidine hydrochloride
• Synonyms: 3-Methoxypropyl 2-(3-piperidinyl)ethyl ether hydrochloride

Database IDs

• MDL Number: MFCD13560311
• PubChem SID: 162051187
• PubChem CID: 56830014

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.547861
• LogD (pH = 7.4): -2.1718183
• Log P: 0.68646127
• Molar Refractivity: 58.4968 cm^3
• Polarizability: 23.170424 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false