4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide

C14H21FN4O — CID 30031547

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide
SMILESNNC(=O)CCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN4O/c15-12-3-5-13(6-4-12)19-10-8-18(9-11-19)7-1-2-14(20)17-16/h3-6H,1-2,7-11,16H2,(H,17,20)
InChIKeyVQJUOACETLFXJO-UHFFFAOYSA-N
MW280.35 g/mol
LogP0.72
Rot. Bonds5

About 4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide

4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide (PubChem CID 30031547) has the molecular formula C14H21FN4O and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide
PubChem CID30031547
Molecular FormulaC14H21FN4O
Molecular Weight280.35 g/mol
Exact Mass280.17
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide
SMILESNNC(=O)CCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H21FN4O/c15-12-3-5-13(6-4-12)19-10-8-18(9-11-19)7-1-2-14(20)17-16/h3-6H,1-2,7-11,16H2,(H,17,20)
InChIKeyVQJUOACETLFXJO-UHFFFAOYSA-N
XLogP0.72
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.72
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

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-4-(methylamino)butanamide
CID 119902194
4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide
CID 63571743
2-(4-fluorophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42266590
3-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 109012594
N-[2-(4-fluorophenyl)ethyl]-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109024942
N'-cyclopropyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390559
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol
CID 54223521
2-(4-aminophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 119902192
N-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027339
4-chloro-N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 34989376
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(4-oxopyrrolo[1,2-a]quinoxalin-5-yl)butanamide
CID 22522650

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide (CID 30031547) is 4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide is NNC(=O)CCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide?
The InChIKey is VQJUOACETLFXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN4O/c15-12-3-5-13(6-4-12)19-10-8-18(9-11-19)7-1-2-14(20)17-16/h3-6H,1-2,7-11,16H2,(H,17,20).
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide?
4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide has a molecular weight of 280.35 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide is sourced from PubChem (CID 30031547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).