2-[2-(propan-2-yloxy)ethyl]piperidine hydrochloride

• ChemBase ID: 46841
• Molecular Formular: C10H22ClNO
• Molecular Mass: 207.74078
• Monoisotopic Mass: 207.13899201
• SMILES: N1C(CCOC(C)C)CCCC1.Cl
• Canonical SMILES: CC(OCCC1CCCCN1)C.Cl
• InChI: InChI=1S/C10H21NO.ClH/c1-9(2)12-8-6-10-5-3-4-7-11-10;/h9-11H,3-8H2,1-2H3;1H
• InChIKey: MQLZBJXHNRDABS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(propan-2-yloxy)ethyl]piperidine hydrochloride
• IUPAC Traditional name: 2-(2-isopropoxyethyl)piperidine hydrochloride
• Synonyms: 2-(2-Isopropoxyethyl)piperidine hydrochloride; 2-[2-(propan-2-yloxy)ethyl]piperidine hydrochloride

Database IDs

• MDL Number: MFCD13560728
• PubChem SID: 162051604
• PubChem CID: 53408709

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7279428
• LogD (pH = 7.4): -1.2709937
• Log P: 1.5036219
• Molar Refractivity: 51.5819 cm^3
• Polarizability: 20.644295 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.948

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%