2-(piperidin-3-yl)ethyl 2-methoxyacetate hydrochloride

• ChemBase ID: 45639
• Molecular Formular: C10H20ClNO3
• Molecular Mass: 237.7237
• Monoisotopic Mass: 237.11317119
• SMILES: C(=O)(OCCC1CNCCC1)COC.Cl
• Canonical SMILES: COCC(=O)OCCC1CCCNC1.Cl
• InChI: InChI=1S/C10H19NO3.ClH/c1-13-8-10(12)14-6-4-9-3-2-5-11-7-9;/h9,11H,2-8H2,1H3;1H
• InChIKey: HBVOLJDRCQFFQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13559686
• PubChem SID: 162050402
• PubChem CID: 56829450

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9369678
• LogD (pH = 7.4): -2.5609174
• Log P: 0.2973544
• Molar Refractivity: 53.4416 cm^3
• Polarizability: 21.421143 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false