2-(3-methoxypropyl)piperidine

• ChemBase ID: 307081
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: N1C(CCCOC)CCCC1
• Canonical SMILES: COCCCC1CCCCN1
• InChI: InChI=1S/C9H19NO/c1-11-8-4-6-9-5-2-3-7-10-9/h9-10H,2-8H2,1H3
• InChIKey: YECWYDXDKXESES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxypropyl)piperidine
• IUPAC Traditional name: 2-(3-methoxypropyl)piperidine
• Synonyms: 2-(3-methoxypropyl)piperidine

Database IDs

• CAS Number: 915922-77-9
• MDL Number: MFCD06408779

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.988117
• LogD (pH = 7.4): -1.6598749
• Log P: 1.2476016
• Molar Refractivity: 47.0591 cm^3
• Polarizability: 18.799707 Å^3
• Polar Surface Area: 21.26 Å^2