4-(1-methoxypropan-2-yl)piperidine

• ChemBase ID: 308901
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: N1CCC(C(COC)C)CC1
• Canonical SMILES: COCC(C1CCNCC1)C
• InChI: InChI=1S/C9H19NO/c1-8(7-11-2)9-3-5-10-6-4-9/h8-10H,3-7H2,1-2H3
• InChIKey: CLHALIZKGLFJAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-methoxypropan-2-yl)piperidine
• IUPAC Traditional name: 4-(1-methoxypropan-2-yl)piperidine
• Synonyms: 4-(2-methoxy-1-methylethyl)piperidine

Database IDs

• CAS Number: 1209587-37-0
• MDL Number: MFCD12827500

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.27107
• LogD (pH = 7.4): -1.8141558
• Log P: 0.9604961
• Molar Refractivity: 47.1365 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 21.26 Å^2