4-(cyclopropylmethoxy)piperidine hydrochloride

• ChemBase ID: 20920
• Molecular Formular: C9H18ClNO
• Molecular Mass: 191.69832
• Monoisotopic Mass: 191.10769188
• SMILES: C1(CC1)COC1CCNCC1.Cl
• Canonical SMILES: N1CCC(CC1)OCC1CC1.Cl
• InChI: InChI=1S/C9H17NO.ClH/c1-2-8(1)7-11-9-3-5-10-6-4-9;/h8-10H,1-7H2;1H
• InChIKey: CEHJMJRSGTWHII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopropylmethoxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(cyclopropylmethoxy)piperidine hydrochloride
• Synonyms: 4-(Cyclopropylmethoxy)piperidine hydrochloride

Database IDs

• CAS Number: 1050509-48-2
• MDL Number: MFCD08146632
• PubChem SID: 160984227
• PubChem CID: 17178009

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.67105
• LogD (pH = 7.4): -1.982644
• Log P: 0.54888487
• Molar Refractivity: 45.1109 cm^3
• Polarizability: 18.067194 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false