4-(3-methoxypropoxy)piperidine hydrochloride

• ChemBase ID: 47153
• Molecular Formular: C9H20ClNO2
• Molecular Mass: 209.7136
• Monoisotopic Mass: 209.11825657
• SMILES: N1CCC(CC1)OCCCOC.Cl
• Canonical SMILES: COCCCOC1CCNCC1.Cl
• InChI: InChI=1S/C9H19NO2.ClH/c1-11-7-2-8-12-9-3-5-10-6-4-9;/h9-10H,2-8H2,1H3;1H
• InChIKey: WXGIHEMNGKCOGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-methoxypropoxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(3-methoxypropoxy)piperidine hydrochloride
• Synonyms: 4-(3-Methoxypropoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD13561035
• PubChem SID: 162051916
• PubChem CID: 53409892

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.4386432
• LogD (pH = 7.4): -2.7502372
• Log P: -0.21870814
• Molar Refractivity: 49.0778 cm^3
• Polarizability: 19.48863 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false