(2R)-2-ethylpiperazine

• ChemBase ID: 168744
• Molecular Formular: C6H14N2
• Molecular Mass: 114.18876
• Monoisotopic Mass: 114.11569846
• SMILES: C1NC[C@H](NC1)CC
• Canonical SMILES: CC[C@@H]1CNCCN1
• InChI: InChI=1S/C6H14N2/c1-2-6-5-7-3-4-8-6/h6-8H,2-5H2,1H3/t6-/m1/s1
• InChIKey: DXOHZOPKNFZZAD-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-ethylpiperazine
• IUPAC Traditional name: (2R)-2-ethylpiperazine
• Synonyms: (2R)-2-Ethylpiperazine dihydrochloride; (R)-2-Ethylpiperazine Dihydrochloride

Database IDs

• CAS Number: 438050-07-8
• PubChem SID: 162262876
• PubChem CID: 11412361

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2233167
• LogD (pH = 7.4): -2.0540442
• Log P: 0.2102906
• Molar Refractivity: 34.3916 cm^3
• Polarizability: 14.118806 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - E925610

A piperazine derivative used in the preparation of compounds for treating disorders associated with the 5-HT2 receptor as well as being a versatile building block for other pharmaceutical compounds.