4-[(cyclopentylmethoxy)methyl]piperidine hydrochloride

• ChemBase ID: 15377
• Molecular Formular: C12H24ClNO
• Molecular Mass: 233.77806
• Monoisotopic Mass: 233.15464207
• SMILES: N1CCC(COCC2CCCC2)CC1.Cl
• Canonical SMILES: N1CCC(CC1)COCC1CCCC1.Cl
• InChI: InChI=1S/C12H23NO.ClH/c1-2-4-11(3-1)9-14-10-12-5-7-13-8-6-12;/h11-13H,1-10H2;1H
• InChIKey: OPBNXRJTKZMPOO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(cyclopentylmethoxy)methyl]piperidine hydrochloride
• IUPAC Traditional name: 4-[(cyclopentylmethoxy)methyl]piperidine hydrochloride
• Synonyms: 4-[(Cyclopentylmethoxy)methyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD09879164
• PubChem SID: 160978684
• PubChem CID: 45074931

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3327985
• LogD (pH = 7.4): -0.87204397
• Log P: 1.898623
• Molar Refractivity: 59.1309 cm^3
• Polarizability: 23.599113 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