3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide

C14H21FN4O — CID 63570573

IUPAC3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide
SMILESCC(CN1CCN(c2ccccc2F)CC1)C(=O)NN
InChIInChI=1S/C14H21FN4O/c1-11(14(20)17-16)10-18-6-8-19(9-7-18)13-5-3-2-4-12(13)15/h2-5,11H,6-10,16H2,1H3,(H,17,20)
InChIKeyYGLANDRTSHIGEZ-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.57
Rot. Bonds4

About 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide

3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide (PubChem CID 63570573) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide
PubChem CID63570573
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide
SMILESCC(CN1CCN(c2ccccc2F)CC1)C(=O)NN
InChIInChI=1S/C14H21FN4O/c1-11(14(20)17-16)10-18-6-8-19(9-7-18)13-5-3-2-4-12(13)15/h2-5,11H,6-10,16H2,1H3,(H,17,20)
InChIKeyYGLANDRTSHIGEZ-UHFFFAOYSA-N
XLogP0.57
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.57
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

methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide
CID 54937463
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 113343915
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol
CID 64790373
(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28775333
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate
CID 51074732
2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one
CID 64868635
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 109012608
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylbutyl)acetamide
CID 109004402

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide?
The IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide (CID 63570573) is 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide.
What is the SMILES notation for 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide?
The canonical SMILES for 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide is CC(CN1CCN(c2ccccc2F)CC1)C(=O)NN.
What is the InChIKey of 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide?
The InChIKey is YGLANDRTSHIGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c1-11(14(20)17-16)10-18-6-8-19(9-7-18)13-5-3-2-4-12(13)15/h2-5,11H,6-10,16H2,1H3,(H,17,20).
What are the key properties of 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide?
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide has a molecular weight of 280.35 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide is sourced from PubChem (CID 63570573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).