2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide

C11H21F3N4O — CID 79409858

IUPAC2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide
SMILESCC(C(=O)NN)C(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4O/c1-8(10(19)16-15)9(2)18-5-3-17(4-6-18)7-11(12,13)14/h8-9H,3-7,15H2,1-2H3,(H,16,19)
InChIKeySQCYVOKXRHCNLY-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.18
Rot. Bonds4

About 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide

2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide (PubChem CID 79409858) has the molecular formula C11H21F3N4O and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide.

Molecular Properties

Compound Name2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide
PubChem CID79409858
Molecular FormulaC11H21F3N4O
Molecular Weight282.31 g/mol
Exact Mass282.17
IUPAC Name2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide
SMILESCC(C(=O)NN)C(C)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4O/c1-8(10(19)16-15)9(2)18-5-3-17(4-6-18)7-11(12,13)14/h8-9H,3-7,15H2,1-2H3,(H,16,19)
InChIKeySQCYVOKXRHCNLY-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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Related Compounds

4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanehydrazide
CID 55212675
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanehydrazide
CID 55212865
3-Methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63574282
2-[Ethyl(2,2,2-trifluoroethyl)amino]-3-methylbutanehydrazide
CID 63583001
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]propanehydrazide
CID 63584266
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanehydrazide
CID 63584452
3-Methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63584472
3-Methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide
CID 63584639
3-Methyl-2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
CID 63584849
4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pentanehydrazide
CID 63585197
2-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide
CID 63585198
2-[3-(Trifluoromethyl)piperidin-1-yl]propanehydrazide
CID 65545255

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide?
The IUPAC name of 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide (CID 79409858) is 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide.
What is the SMILES notation for 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide?
The canonical SMILES for 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide is CC(C(=O)NN)C(C)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide?
The InChIKey is SQCYVOKXRHCNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O/c1-8(10(19)16-15)9(2)18-5-3-17(4-6-18)7-11(12,13)14/h8-9H,3-7,15H2,1-2H3,(H,16,19).
What are the key properties of 2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide?
2-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide 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-methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide is sourced from PubChem (CID 79409858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).