4-(propan-2-yloxy)piperidine

• ChemBase ID: 271943
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N1CCC(OC(C)C)CC1
• Canonical SMILES: CC(OC1CCNCC1)C
• InChI: InChI=1S/C8H17NO/c1-7(2)10-8-3-5-9-6-4-8/h7-9H,3-6H2,1-2H3
• InChIKey: RKGXJBAAWCGBQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(propan-2-yloxy)piperidine
• IUPAC Traditional name: 4-isopropoxypiperidine
• Synonyms: 4-(propan-2-yloxy)piperidine; 4-ISOPROPOXY-PIPERIDINE; 4-Isopropoxypiperidine

Database IDs

• CAS Number: 43139-18-0
• MDL Number: MFCD06804555
• PubChem SID: 164327853
• PubChem CID: 21501982

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6782434
• LogD (pH = 7.4): -1.9898219
• Log P: 0.5416906
• Molar Refractivity: 42.3363 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.262

Product Information

• Purity: 95%; 95+%; 98%