(2S)-2-cyclohexylpiperazine

• ChemBase ID: 808091
• Molecular Formular: C10H20N2
• Molecular Mass: 168.2792
• Monoisotopic Mass: 168.16264865
• SMILES: [C@@H]1(CNCCN1)C1CCCCC1
• Canonical SMILES: C1CCC(CC1)[C@H]1CNCCN1
• InChI: InChI=1S/C10H20N2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h9-12H,1-8H2/t10-/m1/s1
• InChIKey: WWYFHDNQGVTJJJ-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-cyclohexylpiperazine
• IUPAC Traditional name: (2S)-2-cyclohexylpiperazine
• Synonyms: (S)-2-CYCLOHEXYL-PIPERAZINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.046701
• LogD (pH = 7.4): -0.89427286
• Log P: 1.4452435
• Molar Refractivity: 50.864 cm^3
• Polarizability: 20.7646 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%