1-(4-amino-3-ethylpiperidin-1-yl)propan-1-one hydrochloride

• ChemBase ID: 242753
• Molecular Formular: C10H21ClN2O
• Molecular Mass: 220.73954
• Monoisotopic Mass: 220.13424098
• SMILES: N1(C(=O)CC)CC(C(CC1)N)CC.Cl
• Canonical SMILES: CCC1CN(CCC1N)C(=O)CC.Cl
• InChI: InChI=1S/C10H20N2O.ClH/c1-3-8-7-12(10(13)4-2)6-5-9(8)11;/h8-9H,3-7,11H2,1-2H3;1H
• InChIKey: JALQDOKQSMVJCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-amino-3-ethylpiperidin-1-yl)propan-1-one hydrochloride
• IUPAC Traditional name: 1-(4-amino-3-ethylpiperidin-1-yl)propan-1-one hydrochloride
• Synonyms: 1-(4-amino-3-ethylpiperidin-1-yl)propan-1-one hydrochloride

Database IDs

• MDL Number: MFCD22566090
• PubChem SID: 164298663
• PubChem CID: 71757075

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7664247
• LogD (pH = 7.4): -2.2240455
• Log P: 0.25266966
• Molar Refractivity: 53.2854 cm^3
• Polarizability: 21.152966 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 159 - 161°C
• Hydrophobicity(logP): -0.429

Product Information

• Purity: 95%