4-[2-(propan-2-yloxy)ethyl]piperidine hydrochloride

• ChemBase ID: 46839
• Molecular Formular: C10H22ClNO
• Molecular Mass: 207.74078
• Monoisotopic Mass: 207.13899201
• SMILES: N1CCC(CCOC(C)C)CC1.Cl
• Canonical SMILES: CC(OCCC1CCNCC1)C.Cl
• InChI: InChI=1S/C10H21NO.ClH/c1-9(2)12-8-5-10-3-6-11-7-4-10;/h9-11H,3-8H2,1-2H3;1H
• InChIKey: GGTMBBNPGRHVJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(propan-2-yloxy)ethyl]piperidine hydrochloride
• IUPAC Traditional name: 4-(2-isopropoxyethyl)piperidine hydrochloride
• Synonyms: 4-(2-Isopropoxyethyl)piperidine hydrochloride

Database IDs

• MDL Number: MFCD13560726
• PubChem SID: 162051602
• PubChem CID: 53409877

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8626795
• LogD (pH = 7.4): -1.4062896
• Log P: 1.3689063
• Molar Refractivity: 51.8323 cm^3
• Polarizability: 20.644295 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false