4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide

C14H21ClN4O — CID 63571743

IUPAC4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide
SMILESNNC(=O)CCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C14H21ClN4O/c15-12-4-1-2-5-13(12)19-10-8-18(9-11-19)7-3-6-14(20)17-16/h1-2,4-5H,3,6-11,16H2,(H,17,20)
InChIKeyHCLWIZUWJRHLPR-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.23
Rot. Bonds5

About 4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide

4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide (PubChem CID 63571743) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide.

Molecular Properties

Compound Name4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide
PubChem CID63571743
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide
SMILESNNC(=O)CCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C14H21ClN4O/c15-12-4-1-2-5-13(12)19-10-8-18(9-11-19)7-3-6-14(20)17-16/h1-2,4-5H,3,6-11,16H2,(H,17,20)
InChIKeyHCLWIZUWJRHLPR-UHFFFAOYSA-N
XLogP1.23
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.23
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

2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide
CID 119902706
4-[4-(4-fluorophenyl)piperazin-1-yl]butanehydrazide
CID 30031547
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanehydrazide
CID 63570945
1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine
CID 61396678
3-[4-(2-chlorophenyl)piperazin-1-yl]propanimidamide
CID 43118133
2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide
CID 24839637
1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-2,3-dihydroindole;oxalic acid
CID 162324636
4-[4-(2-chlorophenyl)piperazin-1-yl]butanenitrile
CID 43086163
5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide
CID 162787951
N-(2-chlorophenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 2608315
4-[4-(2-cyanophenyl)piperazin-1-yl]butanamide
CID 68545719
4-(4-phenylpiperazin-1-yl)-N-(3,4,5-trichlorophenyl)butanamide
CID 25169359

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide?
The IUPAC name of 4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide (CID 63571743) is 4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide.
What is the SMILES notation for 4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide?
The canonical SMILES for 4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide is NNC(=O)CCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide?
The InChIKey is HCLWIZUWJRHLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c15-12-4-1-2-5-13(12)19-10-8-18(9-11-19)7-3-6-14(20)17-16/h1-2,4-5H,3,6-11,16H2,(H,17,20).
What are the key properties of 4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide?
4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide has a molecular weight of 296.80 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide is sourced from PubChem (CID 63571743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).