[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine

C14H23N5O2 — CID 63633908

IUPAC[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
SMILESCCC1CN(Cc2ccc(NN)c([N+](=O)[O-])c2)CCN1C
InChIInChI=1S/C14H23N5O2/c1-3-12-10-18(7-6-17(12)2)9-11-4-5-13(16-15)14(8-11)19(20)21/h4-5,8,12,16H,3,6-7,9-10,15H2,1-2H3
InChIKeyKHSILIAMELRLCE-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.41
Rot. Bonds5

About [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine

[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine (PubChem CID 63633908) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
PubChem CID63633908
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
SMILESCCC1CN(Cc2ccc(NN)c([N+](=O)[O-])c2)CCN1C
InChIInChI=1S/C14H23N5O2/c1-3-12-10-18(7-6-17(12)2)9-11-4-5-13(16-15)14(8-11)19(20)21/h4-5,8,12,16H,3,6-7,9-10,15H2,1-2H3
InChIKeyKHSILIAMELRLCE-UHFFFAOYSA-N
XLogP1.41
TPSA87.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.41
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'}

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Related Compounds

[4-[(3,4-dimethylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63634928
[4-[(3-ethylpyrrolidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 113418785
[4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 63633383
[4-[(3-methylpiperidin-1-yl)methyl]-2-nitrophenyl]hydrazine
CID 55051092
1-[(4-hydrazinyl-3-nitrophenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 62244541
1-[(4-hydrazinyl-3-nitrophenyl)methyl]piperidin-4-ol
CID 62244985
[2-nitro-4-(thiomorpholin-4-ylmethyl)phenyl]hydrazine
CID 62245555
[2-nitro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 83045221
3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]benzohydrazide
CID 63619720
[4-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-nitrophenyl]hydrazine
CID 104968907
1-[[4-(ethylamino)-3-nitrophenyl]methyl]pyrrolidin-3-ol
CID 62941360
N-ethyl-4-[(3-methylpyrrolidin-1-yl)methyl]-2-nitroaniline
CID 55046125

Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine?
The IUPAC name of [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine (CID 63633908) is [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine.
What is the SMILES notation for [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine?
The canonical SMILES for [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine is CCC1CN(Cc2ccc(NN)c([N+](=O)[O-])c2)CCN1C.
What is the InChIKey of [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine?
The InChIKey is KHSILIAMELRLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-3-12-10-18(7-6-17(12)2)9-11-4-5-13(16-15)14(8-11)19(20)21/h4-5,8,12,16H,3,6-7,9-10,15H2,1-2H3.
What are the key properties of [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine?
[4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine has a molecular weight of 293.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-nitrophenyl]hydrazine is sourced from PubChem (CID 63633908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).