methyl 3-(piperidin-4-yl)propanoate

• ChemBase ID: 307558
• Molecular Formular: C9H17NO2
• Molecular Mass: 171.23678
• Monoisotopic Mass: 171.12592879
• SMILES: C(=O)(CCC1CCNCC1)OC
• Canonical SMILES: COC(=O)CCC1CCNCC1
• InChI: InChI=1S/C9H17NO2/c1-12-9(11)3-2-8-4-6-10-7-5-8/h8,10H,2-7H2,1H3
• InChIKey: FGTFCEJPMHOBDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-(piperidin-4-yl)propanoate
• IUPAC Traditional name: methyl 3-(piperidin-4-yl)propanoate
• Synonyms: methyl 3-piperidin-4-ylpropanoate

Database IDs

• CAS Number: 71879-50-0
• MDL Number: MFCD09055353

CALCULATED PROPERTIES

• Polarizability: 18.871552 Å^3
• Polar Surface Area: 38.33 Å^2
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5722916
• LogD (pH = 7.4): -2.115965
• Log P: 0.6592964
• Molar Refractivity: 47.0205 cm^3