2-(4-benzylpiperazin-1-yl)propanehydrazide

C14H22N4O — CID 63569395

IUPAC2-(4-benzylpiperazin-1-yl)propanehydrazide
SMILESCC(C(=O)NN)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H22N4O/c1-12(14(19)16-15)18-9-7-17(8-10-18)11-13-5-3-2-4-6-13/h2-6,12H,7-11,15H2,1H3,(H,16,19)
InChIKeyGFEOTYLOVNZGNK-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.18
Rot. Bonds4

About 2-(4-benzylpiperazin-1-yl)propanehydrazide

2-(4-benzylpiperazin-1-yl)propanehydrazide (PubChem CID 63569395) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)propanehydrazide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)propanehydrazide
PubChem CID63569395
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(4-benzylpiperazin-1-yl)propanehydrazide
SMILESCC(C(=O)NN)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C14H22N4O/c1-12(14(19)16-15)18-9-7-17(8-10-18)11-13-5-3-2-4-6-13/h2-6,12H,7-11,15H2,1H3,(H,16,19)
InChIKeyGFEOTYLOVNZGNK-UHFFFAOYSA-N
XLogP0.18
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.18
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

(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-phenylethyl)propanamide
CID 1439293
(2S)-2-(4-benzylpiperazin-1-yl)-N-(methylcarbamoyl)propanamide
CID 8902343
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
2-(4-benzylpiperazin-1-yl)-N-(3-phenylpropyl)propanamide
CID 11793239
2-(4-benzylpiperazin-1-yl)pentanehydrazide
CID 83052064
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)propanamide
CID 9275184
2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)propanamide
CID 42858680
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9033638
(2S)-2-(4-benzylpiperazin-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 9265096
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9275187
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690189

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)propanehydrazide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)propanehydrazide (CID 63569395) is 2-(4-benzylpiperazin-1-yl)propanehydrazide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)propanehydrazide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)propanehydrazide is CC(C(=O)NN)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)propanehydrazide?
The InChIKey is GFEOTYLOVNZGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-12(14(19)16-15)18-9-7-17(8-10-18)11-13-5-3-2-4-6-13/h2-6,12H,7-11,15H2,1H3,(H,16,19).
What are the key properties of 2-(4-benzylpiperazin-1-yl)propanehydrazide?
2-(4-benzylpiperazin-1-yl)propanehydrazide has a molecular weight of 262.36 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)propanehydrazide is sourced from PubChem (CID 63569395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).