4-[(cyclopropylmethoxy)methyl]piperidine hydrochloride

• ChemBase ID: 15373
• Molecular Formular: C10H20ClNO
• Molecular Mass: 205.7249
• Monoisotopic Mass: 205.12334195
• SMILES: C1CC1COCC1CCNCC1.Cl
• Canonical SMILES: O(CC1CC1)CC1CCNCC1.Cl
• InChI: InChI=1S/C10H19NO.ClH/c1-2-9(1)7-12-8-10-3-5-11-6-4-10;/h9-11H,1-8H2;1H
• InChIKey: AIFWPBDGHDFXGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1093652-85-7
• MDL Number: MFCD09859629
• PubChem SID: 160978680
• PubChem CID: 23722987

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2219357
• LogD (pH = 7.4): -1.7611814
• Log P: 1.0094856
• Molar Refractivity: 49.9289 cm^3
• Polarizability: 19.910645 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