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

• ChemBase ID: 260902
• Molecular Formular: C7H15ClN2O
• Molecular Mass: 178.6598
• Monoisotopic Mass: 178.08729079
• SMILES: N1(C(=O)CCCC1)CCN.Cl
• Canonical SMILES: NCCN1CCCCC1=O.Cl
• InChI: InChI=1S/C7H14N2O.ClH/c8-4-6-9-5-2-1-3-7(9)10;/h1-6,8H2;1H
• InChIKey: UOJDAWDDLRDPFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09028175
• PubChem SID: 164316812
• PubChem CID: 47002133

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6486173
• 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

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.184

Product Information

• Purity: 95%