2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide

C11H21F3N4O — CID 79627170

IUPAC2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide
SMILESCC(C)(CN1CCN(CC(F)(F)F)CC1)C(=O)NN
InChIInChI=1S/C11H21F3N4O/c1-10(2,9(19)16-15)7-17-3-5-18(6-4-17)8-11(12,13)14/h3-8,15H2,1-2H3,(H,16,19)
InChIKeyPVQKPPMCPABFMH-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.18
Rot. Bonds4

About 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide

2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide (PubChem CID 79627170) has the molecular formula C11H21F3N4O and a molecular weight of 282.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide
PubChem CID79627170
Molecular FormulaC11H21F3N4O
Molecular Weight282.31 g/mol
Exact Mass282.17
IUPAC Name2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide
SMILESCC(C)(CN1CCN(CC(F)(F)F)CC1)C(=O)NN
InChIInChI=1S/C11H21F3N4O/c1-10(2,9(19)16-15)7-17-3-5-18(6-4-17)8-11(12,13)14/h3-8,15H2,1-2H3,(H,16,19)
InChIKeyPVQKPPMCPABFMH-UHFFFAOYSA-N
XLogP0.18
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide?
The IUPAC name of 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide (CID 79627170) is 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide.
What is the SMILES notation for 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide?
The canonical SMILES for 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide is CC(C)(CN1CCN(CC(F)(F)F)CC1)C(=O)NN.
What is the InChIKey of 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide?
The InChIKey is PVQKPPMCPABFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O/c1-10(2,9(19)16-15)7-17-3-5-18(6-4-17)8-11(12,13)14/h3-8,15H2,1-2H3,(H,16,19).
What are the key properties of 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide?
2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide has a molecular weight of 282.31 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide is sourced from PubChem (CID 79627170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).