piperidin-3-yl acetate hydrochloride

• ChemBase ID: 45556
• Molecular Formular: C7H14ClNO2
• Molecular Mass: 179.64456
• Monoisotopic Mass: 179.07130637
• SMILES: C(=O)(OC1CNCCC1)C.Cl
• Canonical SMILES: CC(=O)OC1CCCNC1.Cl
• InChI: InChI=1S/C7H13NO2.ClH/c1-6(9)10-7-3-2-4-8-5-7;/h7-8H,2-5H2,1H3;1H
• InChIKey: FQPIFBKRXMLKEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-3-yl acetate hydrochloride
• IUPAC Traditional name: piperidin-3-yl acetate hydrochloride
• Synonyms: piperidin-3-yl acetate hydrochloride; 3-Piperidinyl acetate hydrochloride

Database IDs

• MDL Number: MFCD13559629
• PubChem SID: 162050319
• PubChem CID: 53409780

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1033332
• LogD (pH = 7.4): -1.8246889
• Log P: 0.023709463
• Molar Refractivity: 37.3484 cm^3
• Polarizability: 15.197755 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.535

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%