methyl 3-(piperidin-3-yl)propanoate

• ChemBase ID: 307557
• Molecular Formular: C9H17NO2
• Molecular Mass: 171.23678
• Monoisotopic Mass: 171.12592879
• SMILES: C(=O)(CCC1CNCCC1)OC
• Canonical SMILES: COC(=O)CCC1CCCNC1
• InChI: InChI=1S/C9H17NO2/c1-12-9(11)5-4-8-3-2-6-10-7-8/h8,10H,2-7H2,1H3
• InChIKey: VJCAJSGDZGKOBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 874440-84-3
• MDL Number: MFCD09055352

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4971228
• LogD (pH = 7.4): -2.122719
• Log P: 0.7372501
• Molar Refractivity: 46.9435 cm^3
• Polarizability: 18.871552 Å^3
• Polar Surface Area: 38.33 Å^2