2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide

C15H24N4O — CID 115465501

IUPAC2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide
SMILESCC1CN(Cc2ccccc2CC(=O)NN)CCN1C
InChIInChI=1S/C15H24N4O/c1-12-10-19(8-7-18(12)2)11-14-6-4-3-5-13(14)9-15(20)17-16/h3-6,12H,7-11,16H2,1-2H3,(H,17,20)
InChIKeyDBCQOOMSXGKFMC-UHFFFAOYSA-N
MW276.38 g/mol
LogP0.35
Rot. Bonds4

About 2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide

2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide (PubChem CID 115465501) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide
PubChem CID115465501
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide
SMILESCC1CN(Cc2ccccc2CC(=O)NN)CCN1C
InChIInChI=1S/C15H24N4O/c1-12-10-19(8-7-18(12)2)11-14-6-4-3-5-13(14)9-15(20)17-16/h3-6,12H,7-11,16H2,1-2H3,(H,17,20)
InChIKeyDBCQOOMSXGKFMC-UHFFFAOYSA-N
XLogP0.35
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.35
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-[2-[(3-methylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314918
N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 63620637
N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 63620639
2-[2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465290
2-[2-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenyl]acetohydrazide
CID 115465497
2-[2-[(2-ethylmorpholin-4-yl)methyl]phenyl]acetohydrazide
CID 115465353
2-[2-(piperazin-1-ylmethyl)phenyl]acetohydrazide
CID 115465423
2-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]acetohydrazide
CID 115465539
2-[2-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 115465549
N-[2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]ethyl]propan-2-amine
CID 115464074
2-[2-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]phenyl]acetohydrazide
CID 102938197
2-[2-[(2-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 115465534

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide?
The IUPAC name of 2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide (CID 115465501) is 2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide is CC1CN(Cc2ccccc2CC(=O)NN)CCN1C.
What is the InChIKey of 2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide?
The InChIKey is DBCQOOMSXGKFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12-10-19(8-7-18(12)2)11-14-6-4-3-5-13(14)9-15(20)17-16/h3-6,12H,7-11,16H2,1-2H3,(H,17,20).
What are the key properties of 2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide?
2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide has a molecular weight of 276.38 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]acetohydrazide is sourced from PubChem (CID 115465501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).