1-ethyl-4-(piperidin-4-yl)piperazine hydrochloride

• ChemBase ID: 11634
• Molecular Formular: C11H24ClN3
• Molecular Mass: 233.78136
• Monoisotopic Mass: 233.16587546
• SMILES: N1(C2CCNCC2)CCN(CC1)CC.Cl
• Canonical SMILES: CCN1CCN(CC1)C1CCNCC1.Cl
• InChI: InChI=1S/C11H23N3.ClH/c1-2-13-7-9-14(10-8-13)11-3-5-12-6-4-11;/h11-12H,2-10H2,1H3;1H
• InChIKey: IXHUOPCJAWPKNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-4-(piperidin-4-yl)piperazine hydrochloride
• IUPAC Traditional name: 1-ethyl-4-(piperidin-4-yl)piperazine hydrochloride
• Synonyms: 1-Ethyl-4-piperidin-4-yl-piperazine hydrochloride

Database IDs

• CAS Number: 202991-77-3
• MDL Number: MFCD06800708
• PubChem SID: 160974941
• PubChem CID: 45074781

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.926653
• LogD (pH = 7.4): -3.626792
• Log P: 0.03785519
• Molar Refractivity: 60.9432 cm^3
• Polarizability: 24.131968 Å^3
• Polar Surface Area: 18.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false