3-propoxypiperidine

• ChemBase ID: 18495
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1CC(OCCC)CCC1
• Canonical SMILES: CCCOC1CCCNC1
• InChI: InChI=1S/C8H17NO/c1-2-6-10-8-4-3-5-9-7-8/h8-9H,2-7H2,1H3
• InChIKey: LFSCFVYWENCMOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-propoxypiperidine
• IUPAC Traditional name: 3-propoxypiperidine
• Synonyms: 3-Propoxy-piperidine; 3-propoxypiperidine

Database IDs

• CAS Number: 89122-72-5
• MDL Number: MFCD06408768
• PubChem SID: 160981802
• PubChem CID: 4712034

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.0854027
• LogD (pH = 7.4): -1.0971626
• Log P: 1.1050409
• Molar Refractivity: 42.2207 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.308

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%