2-(4,4-dimethylpiperazine-1,4-diium-1-yl)acetohydrazide

C8H20N4O+2 — CID 162458856

IUPAC2-(4,4-dimethylpiperazine-1,4-diium-1-yl)acetohydrazide
SMILESC[N+]1(C)CC[NH+](CC(=O)NN)CC1
InChIInChI=1S/C8H18N4O/c1-12(2)5-3-11(4-6-12)7-8(13)10-9/h3-7,9H2,1-2H3/p+2
InChIKeyIFSFYRTVKUWOFA-UHFFFAOYSA-P
MW188.27 g/mol
LogP-3.05
Rot. Bonds2

About 2-(4,4-dimethylpiperazine-1,4-diium-1-yl)acetohydrazide

2-(4,4-dimethylpiperazine-1,4-diium-1-yl)acetohydrazide (PubChem CID 162458856) has the molecular formula C8H20N4O+2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(4,4-dimethylpiperazine-1,4-diium-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(4,4-dimethylpiperazine-1,4-diium-1-yl)acetohydrazide
PubChem CID162458856
Molecular FormulaC8H20N4O+2
Molecular Weight188.27 g/mol
Exact Mass188.16
IUPAC Name2-(4,4-dimethylpiperazine-1,4-diium-1-yl)acetohydrazide
SMILESC[N+]1(C)CC[NH+](CC(=O)NN)CC1
InChIInChI=1S/C8H18N4O/c1-12(2)5-3-11(4-6-12)7-8(13)10-9/h3-7,9H2,1-2H3/p+2
InChIKeyIFSFYRTVKUWOFA-UHFFFAOYSA-P
XLogP-3.05
TPSA59.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-3.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-Piperazineacetic acid, 4-methyl-, hydrazide
CID 90566
2-(Piperazin-1-yl)acetohydrazide
CID 45099474
N-(4-methylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 83015618
N1-isobutyl-N2-(4-methylpiperazin-1-yl)oxalamide
CID 45585733
(2-Hydrazinyl-2-oxoethyl)-dimethylazanium
CID 6997256
2-(Ethylamino)acetohydrazide
CID 13040312
1-(Methylamino)piperazin-2-one
CID 17825448
N-methyl-2-piperazin-1-ylacetohydrazide
CID 19778604
2-(4-Methylpiperazin-1-yl)propanehydrazide
CID 19778611
2-hydrazinyl-N-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 20242942
N-methyl-N'-piperazin-1-ylacetohydrazide
CID 21116632
2-(4-acetylpiperazinyl)-N-aminoacetamide
CID 22479754

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylpiperazine-1,4-diium-1-yl)acetohydrazide?
The IUPAC name of 2-(4,4-dimethylpiperazine-1,4-diium-1-yl)acetohydrazide (CID 162458856) is 2-(4,4-dimethylpiperazine-1,4-diium-1-yl)acetohydrazide.
What is the SMILES notation for 2-(4,4-dimethylpiperazine-1,4-diium-1-yl)acetohydrazide?
The canonical SMILES for 2-(4,4-dimethylpiperazine-1,4-diium-1-yl)acetohydrazide is C[N+]1(C)CC[NH+](CC(=O)NN)CC1.
What is the InChIKey of 2-(4,4-dimethylpiperazine-1,4-diium-1-yl)acetohydrazide?
The InChIKey is IFSFYRTVKUWOFA-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H18N4O/c1-12(2)5-3-11(4-6-12)7-8(13)10-9/h3-7,9H2,1-2H3/p+2.
What are the key properties of 2-(4,4-dimethylpiperazine-1,4-diium-1-yl)acetohydrazide?
2-(4,4-dimethylpiperazine-1,4-diium-1-yl)acetohydrazide has a molecular weight of 188.27 g/mol, XLogP of -3.05, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylpiperazine-1,4-diium-1-yl)acetohydrazide is sourced from PubChem (CID 162458856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).