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

C10H19F3N4O2 — CID 103229575

IUPAC3-methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide
SMILESCOCC(C(=O)NN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4O2/c1-19-6-8(9(18)15-14)17-4-2-16(3-5-17)7-10(11,12)13/h8H,2-7,14H2,1H3,(H,15,18)
InChIKeyKIUWSRYPELSSKI-UHFFFAOYSA-N
MW284.28 g/mol
LogP-0.83
Rot. Bonds5

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

3-methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide (PubChem CID 103229575) has the molecular formula C10H19F3N4O2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide.

Molecular Properties

Compound Name3-methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide
PubChem CID103229575
Molecular FormulaC10H19F3N4O2
Molecular Weight284.28 g/mol
Exact Mass284.15
IUPAC Name3-methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide
SMILESCOCC(C(=O)NN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4O2/c1-19-6-8(9(18)15-14)17-4-2-16(3-5-17)7-10(11,12)13/h8H,2-7,14H2,1H3,(H,15,18)
InChIKeyKIUWSRYPELSSKI-UHFFFAOYSA-N
XLogP-0.83
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-3-methoxypropanehydrazide
CID 103229714
2-(4-acetylpiperazin-1-yl)-3-methoxypropanehydrazide
CID 103229435
3-methoxy-2-piperazin-1-ylpropanehydrazide
CID 103229611
3-methoxy-2-(4-methylpiperidin-1-yl)propanehydrazide
CID 103229441
2-amino-3-methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 81088519
ethyl 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanoate
CID 78964972
methyl 2-amino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanoate
CID 55141166
3-methoxy-2-[4-(3-methylphenyl)piperazin-1-yl]propanehydrazide
CID 103229457
3-methoxy-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propanehydrazide
CID 103229742
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methoxypropanehydrazide
CID 103229530
3-methoxy-2-(3-oxopiperazin-1-yl)propanehydrazide
CID 103229454
3-methoxy-2-[3-(methoxymethyl)piperidin-1-yl]propanehydrazide
CID 106589687

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide?
The IUPAC name of 3-methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide (CID 103229575) is 3-methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide.
What is the SMILES notation for 3-methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide?
The canonical SMILES for 3-methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide is COCC(C(=O)NN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide?
The InChIKey is KIUWSRYPELSSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O2/c1-19-6-8(9(18)15-14)17-4-2-16(3-5-17)7-10(11,12)13/h8H,2-7,14H2,1H3,(H,15,18).
What are the key properties of 3-methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide?
3-methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide has a molecular weight of 284.28 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanehydrazide is sourced from PubChem (CID 103229575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).