piperidin-3-yl 2-methoxyacetate hydrochloride

• ChemBase ID: 45633
• Molecular Formular: C8H16ClNO3
• Molecular Mass: 209.67054
• Monoisotopic Mass: 209.08187106
• SMILES: C(=O)(OC1CNCCC1)COC.Cl
• Canonical SMILES: COCC(=O)OC1CCCNC1.Cl
• InChI: InChI=1S/C8H15NO3.ClH/c1-11-6-8(10)12-7-3-2-4-9-5-7;/h7,9H,2-6H2,1H3;1H
• InChIKey: IOHRWGOFGLLUEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidin-3-yl 2-methoxyacetate hydrochloride
• IUPAC Traditional name: piperidin-3-yl 2-methoxyacetate hydrochloride
• Synonyms: 3-Piperidinyl 2-methoxyacetate hydrochloride

Database IDs

• MDL Number: MFCD13559680
• PubChem SID: 162050396
• PubChem CID: 53409770

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2774384
• LogD (pH = 7.4): -1.9987435
• Log P: -0.15041208
• Molar Refractivity: 43.8018 cm^3
• Polarizability: 17.755844 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false