1-(2-aminoethyl)piperidin-2-one

• ChemBase ID: 180348
• Molecular Formular: C7H14N2O
• Molecular Mass: 142.19886
• Monoisotopic Mass: 142.11061308
• SMILES: N1(C(=O)CCCC1)CCN
• Canonical SMILES: NCCN1CCCCC1=O
• InChI: InChI=1S/C7H14N2O/c8-4-6-9-5-2-1-3-7(9)10/h1-6,8H2
• InChIKey: RSDYQUTYAZWYEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminoethyl)piperidin-2-one
• IUPAC Traditional name: 1-(2-aminoethyl)piperidin-2-one
• Synonyms: 1-(2-Aminoethyl)piperidin-2-one

Database IDs

• CAS Number: 27578-61-6
• MDL Number: MFCD08445691
• PubChem SID: 164236258
• PubChem CID: 18523963

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.648617
• LogD (pH = 7.4): -2.44896
• Log P: -0.7083484
• Molar Refractivity: 39.7054 cm^3
• Polarizability: 15.631624 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true