methyl 4-propylpiperidine-4-carboxylate

• ChemBase ID: 309652
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: C(=O)(C1(CCC)CCNCC1)OC
• Canonical SMILES: CCCC1(CCNCC1)C(=O)OC
• InChI: InChI=1S/C10H19NO2/c1-3-4-10(9(12)13-2)5-7-11-8-6-10/h11H,3-8H2,1-2H3
• InChIKey: AJUVOUMFRPXUHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-propylpiperidine-4-carboxylate
• IUPAC Traditional name: methyl 4-propylpiperidine-4-carboxylate
• Synonyms: methyl 4-propyl-4-piperidinecarboxylate

Database IDs

• MDL Number: MFCD18272131

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7183355
• LogD (pH = 7.4): -0.72427046
• Log P: 1.4712778
• Molar Refractivity: 51.5474 cm^3
• Polarizability: 20.710838 Å^3
• Polar Surface Area: 38.33 Å^2