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

• ChemBase ID: 272250
• Molecular Formular: C8H17ClN2O
• Molecular Mass: 192.68638
• Monoisotopic Mass: 192.10294085
• SMILES: C(=O)(N1CCCCC1)[C@@H](N)C.Cl
• Canonical SMILES: C[C@@H](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/t7-;/m0./s1
• InChIKey: ZDJUIAOSWUDBFB-FJXQXJEOSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18380631
• PubChem SID: 164328160
• PubChem CID: 50988046

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

Physical Property

• Melting Point: 210 - 212°C
• Hydrophobicity(logP): 0.048

Product Information

• Purity: 95%