4-[(propan-2-yloxy)methyl]piperidine

• ChemBase ID: 309648
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: N1CCC(COC(C)C)CC1
• Canonical SMILES: CC(OCC1CCNCC1)C
• InChI: InChI=1S/C9H19NO/c1-8(2)11-7-9-3-5-10-6-4-9/h8-10H,3-7H2,1-2H3
• InChIKey: ZHMLFMJZFONRNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(propan-2-yloxy)methyl]piperidine
• IUPAC Traditional name: 4-(isopropoxymethyl)piperidine
• Synonyms: 4-(isopropoxymethyl)piperidine

Database IDs

• CAS Number: 1016827-31-8
• MDL Number: MFCD09948547

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.22913
• LogD (pH = 7.4): -1.7683755
• Log P: 1.0022913
• Molar Refractivity: 47.1543 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 21.26 Å^2