2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide

C13H20N4O — CID 115465423

IUPAC2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccccc1CN1CCNCC1
InChIInChI=1S/C13H20N4O/c14-16-13(18)9-11-3-1-2-4-12(11)10-17-7-5-15-6-8-17/h1-4,15H,5-10,14H2,(H,16,18)
InChIKeyQPAHFDYUHVJOPT-UHFFFAOYSA-N
MW248.33 g/mol
LogP-0.38
Rot. Bonds4

About 2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide

2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide (PubChem CID 115465423) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide
PubChem CID115465423
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccccc1CN1CCNCC1
InChIInChI=1S/C13H20N4O/c14-16-13(18)9-11-3-1-2-4-12(11)10-17-7-5-15-6-8-17/h1-4,15H,5-10,14H2,(H,16,18)
InChIKeyQPAHFDYUHVJOPT-UHFFFAOYSA-N
XLogP-0.38
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
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-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 115465549
1-[(2-ethylphenyl)methyl]piperazine
CID 62415674
2-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314918
2-[2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465290
2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]acetohydrazide
CID 115465539
2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide
CID 115465501
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
N-methyl-2-(piperazin-1-ylmethyl)benzamide
CID 82510273
methyl 2-(piperazin-1-ylmethyl)benzoate
CID 44829012
2-[2-[(2-ethylmorpholin-4-yl)methyl]phenyl]acetohydrazide
CID 115465353
2-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetohydrazide
CID 102938197
2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465497

Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide?
The IUPAC name of 2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide (CID 115465423) is 2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide?
The canonical SMILES for 2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide is NNC(=O)Cc1ccccc1CN1CCNCC1.
What is the InChIKey of 2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide?
The InChIKey is QPAHFDYUHVJOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-16-13(18)9-11-3-1-2-4-12(11)10-17-7-5-15-6-8-17/h1-4,15H,5-10,14H2,(H,16,18).
What are the key properties of 2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide?
2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide has a molecular weight of 248.33 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide is sourced from PubChem (CID 115465423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).