3-(cyclopropylmethoxy)piperidine hydrochloride

• ChemBase ID: 20821
• Molecular Formular: C9H18ClNO
• Molecular Mass: 191.69832
• Monoisotopic Mass: 191.10769188
• SMILES: C1(CC1)COC1CNCCC1.Cl
• Canonical SMILES: C1CCC(CN1)OCC1CC1.Cl
• InChI: InChI=1S/C9H17NO.ClH/c1-2-9(6-10-5-1)11-7-8-3-4-8;/h8-10H,1-7H2;1H
• InChIKey: ONFORIIOCLAQSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(cyclopropylmethoxy)piperidine hydrochloride
• IUPAC Traditional name: 3-(cyclopropylmethoxy)piperidine hydrochloride
• Synonyms: 3-(Cyclopropylmethoxy)piperidine hydrochloride

Database IDs

• MDL Number: MFCD10687219
• PubChem SID: 160984128
• PubChem CID: 46735644

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1841547
• LogD (pH = 7.4): -1.1959064
• Log P: 1.0062878
• Molar Refractivity: 44.8901 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