2-amino-1-(piperidin-1-yl)propan-1-one hydrochloride

• ChemBase ID: 48731
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: C(=O)(N1CCCCC1)C(N)C.Cl
• Canonical SMILES: CC(C(=O)N1CCCCC1)N.Cl
• InChI: InChI=1S/C8H16N2O.ClH/c1-7(9)8(11)10-5-3-2-4-6-10;/h7H,2-6,9H2,1H3;1H
• InChIKey: ZDJUIAOSWUDBFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-1-(piperidin-1-yl)propan-1-one hydrochloride
• IUPAC Traditional name: 2-amino-1-(piperidin-1-yl)propan-1-one hydrochloride
• Synonyms: 2-Amino-1-(1-piperidinyl)-1-propanone hydrochloride

Database IDs

• MDL Number: MFCD09028974
• PubChem SID: 162053494
• PubChem CID: 53444445

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7380726
• LogD (pH = 7.4): -1.1085067
• Log P: -0.087935664
• Molar Refractivity: 44.2549 cm^3
• Polarizability: 17.470844 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false