4-[2-(2-methoxyethoxy)ethoxy]piperidine hydrochloride

• ChemBase ID: 47104
• Molecular Formular: C10H22ClNO3
• Molecular Mass: 239.73958
• Monoisotopic Mass: 239.12882125
• SMILES: N1CCC(CC1)OCCOCCOC.Cl
• Canonical SMILES: COCCOCCOC1CCNCC1.Cl
• InChI: InChI=1S/C10H21NO3.ClH/c1-12-6-7-13-8-9-14-10-2-4-11-5-3-10;/h10-11H,2-9H2,1H3;1H
• InChIKey: SGLZDLZFBKGGSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(2-methoxyethoxy)ethoxy]piperidine hydrochloride
• IUPAC Traditional name: 4-[2-(2-methoxyethoxy)ethoxy]piperidine hydrochloride
• Synonyms: 2-(2-Methoxyethoxy)ethyl 4-piperidinyl ether hydrochloride

Database IDs

• MDL Number: MFCD13560987
• PubChem SID: 162051867
• PubChem CID: 56831000

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.5455782
• LogD (pH = 7.4): -2.8571713
• Log P: -0.3256434
• Molar Refractivity: 55.2559 cm^3
• Polarizability: 22.034855 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false