4-(cyclopropylmethoxy)piperidine

• ChemBase ID: 15374
• Molecular Formular: C9H17NO
• Molecular Mass: 155.23738
• Monoisotopic Mass: 155.13101417
• SMILES: C1C(CCNC1)OCC1CC1
• Canonical SMILES: N1CCC(CC1)OCC1CC1
• InChI: InChI=1S/C9H17NO/c1-2-8(1)7-11-9-3-5-10-6-4-9/h8-10H,1-7H2
• InChIKey: IUAHQKOAIKIXFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 865106-51-0
• MDL Number: MFCD06246804
• PubChem SID: 160978681
• PubChem CID: 17178010

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

Physical Property

• Hydrophobicity(logP): 0.397

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%