5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide

C11H21F3N4O — CID 63584826

IUPAC5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide
SMILESNNC(=O)CCCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4O/c12-11(13,14)9-18-7-5-17(6-8-18)4-2-1-3-10(19)16-15/h1-9,15H2,(H,16,19)
InChIKeyVGPXLDZZPGRJOU-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.33
Rot. Bonds6

About 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide

5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide (PubChem CID 63584826) has the molecular formula C11H21F3N4O and a molecular weight of 282.31 g/mol. Its IUPAC name is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide.

Molecular Properties

Compound Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide
PubChem CID63584826
Molecular FormulaC11H21F3N4O
Molecular Weight282.31 g/mol
Exact Mass282.17
IUPAC Name5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide
SMILESNNC(=O)CCCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H21F3N4O/c12-11(13,14)9-18-7-5-17(6-8-18)4-2-1-3-10(19)16-15/h1-9,15H2,(H,16,19)
InChIKeyVGPXLDZZPGRJOU-UHFFFAOYSA-N
XLogP0.33
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide?
The IUPAC name of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide (CID 63584826) is 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide.
What is the SMILES notation for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide?
The canonical SMILES for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide is NNC(=O)CCCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide?
The InChIKey is VGPXLDZZPGRJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N4O/c12-11(13,14)9-18-7-5-17(6-8-18)4-2-1-3-10(19)16-15/h1-9,15H2,(H,16,19).
What are the key properties of 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide?
5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide has a molecular weight of 282.31 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanehydrazide is sourced from PubChem (CID 63584826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).