[4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine

C13H21N5O2 — CID 63634928

IUPAC[4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
SMILESCC1CN(Cc2ccc(NN)c([N+](=O)[O-])c2)CCN1C
InChIInChI=1S/C13H21N5O2/c1-10-8-17(6-5-16(10)2)9-11-3-4-12(15-14)13(7-11)18(19)20/h3-4,7,10,15H,5-6,8-9,14H2,1-2H3
InChIKeySBOLXUUQVDLIGA-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.02
Rot. Bonds4

About [4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine

[4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine (PubChem CID 63634928) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is [4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
PubChem CID63634928
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name[4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
SMILESCC1CN(Cc2ccc(NN)c([N+](=O)[O-])c2)CCN1C
InChIInChI=1S/C13H21N5O2/c1-10-8-17(6-5-16(10)2)9-11-3-4-12(15-14)13(7-11)18(19)20/h3-4,7,10,15H,5-6,8-9,14H2,1-2H3
InChIKeySBOLXUUQVDLIGA-UHFFFAOYSA-N
XLogP1.02
TPSA87.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63633908
[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63633383
[4-[(3-methylpiperidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 55051092
4-[(4-chloro-3-nitrophenyl)methyl]-1,2-dimethylpiperazine
CID 63610531
[4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 113418785
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 62244541
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol
CID 62244985
[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
CID 104968907
[2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine
CID 62245555
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-N-methyl-2-nitroaniline
CID 79184018
4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
CID 63621224
N-ethyl-4-[(3-methylpyrrolidin-1-yl)methyl]-2-nitroaniline
CID 55046125

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine?
The IUPAC name of [4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine (CID 63634928) is [4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine.
What is the SMILES notation for [4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine?
The canonical SMILES for [4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine is CC1CN(Cc2ccc(NN)c([N+](=O)[O-])c2)CCN1C.
What is the InChIKey of [4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine?
The InChIKey is SBOLXUUQVDLIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-10-8-17(6-5-16(10)2)9-11-3-4-12(15-14)13(7-11)18(19)20/h3-4,7,10,15H,5-6,8-9,14H2,1-2H3.
What are the key properties of [4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine?
[4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine has a molecular weight of 279.34 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine is sourced from PubChem (CID 63634928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).