4-(propoxymethyl)piperidine hydrochloride

• ChemBase ID: 15391
• Molecular Formular: C9H20ClNO
• Molecular Mass: 193.7142
• Monoisotopic Mass: 193.12334195
• SMILES: N1CCC(COCCC)CC1.Cl
• Canonical SMILES: CCCOCC1CCNCC1.Cl
• InChI: InChI=1S/C9H19NO.ClH/c1-2-7-11-8-9-3-5-10-6-4-9;/h9-10H,2-8H2,1H3;1H
• InChIKey: MKKKPUOPQOHZND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(propoxymethyl)piperidine hydrochloride
• IUPAC Traditional name: 4-(propoxymethyl)piperidine hydrochloride
• Synonyms: 4-(Propoxymethyl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD09444901
• PubChem SID: 160978698
• PubChem CID: 17205410

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1231828
• LogD (pH = 7.4): -1.6624283
• Log P: 1.1082387
• Molar Refractivity: 47.2595 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false