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

C9H17F3N4O — CID 63584266

IUPAC3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide
SMILESNNC(=O)CCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N4O/c10-9(11,12)7-16-5-3-15(4-6-16)2-1-8(17)14-13/h1-7,13H2,(H,14,17)
InChIKeyZXCIMVUDICSNOE-UHFFFAOYSA-N
MW254.26 g/mol
LogP-0.45
Rot. Bonds4

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

3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide (PubChem CID 63584266) has the molecular formula C9H17F3N4O and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide.

Molecular Properties

Compound Name3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide
PubChem CID63584266
Molecular FormulaC9H17F3N4O
Molecular Weight254.26 g/mol
Exact Mass254.14
IUPAC Name3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide
SMILESNNC(=O)CCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C9H17F3N4O/c10-9(11,12)7-16-5-3-15(4-6-16)2-1-8(17)14-13/h1-7,13H2,(H,14,17)
InChIKeyZXCIMVUDICSNOE-UHFFFAOYSA-N
XLogP-0.45
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 5-0.45
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'}

Analyze 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-Methylpiperazin-1-yl)propanehydrazide
CID 2400453
4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanehydrazide
CID 55212675
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]butanehydrazide
CID 55212865
2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]propanehydrazide
CID 63584267
3-[Propyl(2,2,2-trifluoroethyl)amino]propanehydrazide
CID 63584295
5-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]pentanehydrazide
CID 63584826
2-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide
CID 63585198
2-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide
CID 79409858
2,2-Dimethyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide
CID 79627170
N-(4-methylpiperazin-1-yl)-3-[(2,2,2-trifluoroacetyl)amino]propanamide
CID 84362580
3-(3,3-Difluoropiperidin-1-yl)propanehydrazide
CID 164657436
2,2-Difluoro-3-(piperidin-1-yl)propanehydrazide
CID 165462023

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide?
The IUPAC name of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide (CID 63584266) is 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide.
What is the SMILES notation for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide?
The canonical SMILES for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide is NNC(=O)CCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide?
The InChIKey is ZXCIMVUDICSNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N4O/c10-9(11,12)7-16-5-3-15(4-6-16)2-1-8(17)14-13/h1-7,13H2,(H,14,17).
What are the key properties of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide?
3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide has a molecular weight of 254.26 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide is sourced from PubChem (CID 63584266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).