methyl 4-(piperidin-1-yl)butanoate

• ChemBase ID: 124125
• Molecular Formular: C10H19NO2
• Molecular Mass: 185.26336
• Monoisotopic Mass: 185.14157885
• SMILES: N1(CCCC(=O)OC)CCCCC1
• Canonical SMILES: COC(=O)CCCN1CCCCC1
• InChI: InChI=1S/C10H19NO2/c1-13-10(12)6-5-9-11-7-3-2-4-8-11/h2-9H2,1H3
• InChIKey: KJSCSZQWNCEXBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-(piperidin-1-yl)butanoate
• IUPAC Traditional name: methyl 4-(piperidin-1-yl)butanoate
• Synonyms: methyl 4-(piperidin-1-yl)butanoate

Database IDs

• PubChem SID: 162218478
• PubChem CID: 3047641

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.9475579
• LogD (pH = 7.4): -0.3033637
• Log P: 1.190087
• Molar Refractivity: 52.4382 cm^3
• Polarizability: 20.710838 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true