dimethyl(piperazin-2-ylidene)azanium

C6H14N3+ — CID 57293777

IUPACdimethyl(piperazin-2-ylidene)azanium
SMILESC[N+](C)=C1CNCCN1
InChIInChI=1S/C6H13N3/c1-9(2)6-5-7-3-4-8-6/h7H,3-5H2,1-2H3/p+1
InChIKeyUTUWJJIPTZHBLA-UHFFFAOYSA-O
MW128.20 g/mol
LogP-1.15
Rot. Bonds

About dimethyl(piperazin-2-ylidene)azanium

dimethyl(piperazin-2-ylidene)azanium (PubChem CID 57293777) has the molecular formula C6H14N3+ and a molecular weight of 128.20 g/mol. Its IUPAC name is dimethyl(piperazin-2-ylidene)azanium.

Molecular Properties

Compound Namedimethyl(piperazin-2-ylidene)azanium
PubChem CID57293777
Molecular FormulaC6H14N3+
Molecular Weight128.20 g/mol
Exact Mass128.12
IUPAC Namedimethyl(piperazin-2-ylidene)azanium
SMILESC[N+](C)=C1CNCCN1
InChIInChI=1S/C6H13N3/c1-9(2)6-5-7-3-4-8-6/h7H,3-5H2,1-2H3/p+1
InChIKeyUTUWJJIPTZHBLA-UHFFFAOYSA-O
XLogP-1.15
TPSA27.07 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-Methylimidazoline
CID 10798
2-(2-Methyl-4,5-dihydro-1H-imidazol-1-yl)ethan-1-amine
CID 246524
2-methyl-4,5-dihydro-1H-imidazol-3-ium
CID 1715062
Imino methyl piperazine
CID 70652927
N-(fluoromethyl)-1-piperazin-1-ylethanimine
CID 123953554
3-Fluoro-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyrazine
CID 132196529
2,2,2-trifluoro-N-(4-methylpiperazin-1-ium-2-ylidene)ethanimidamide
CID 144072518
1-(1-fluoroethyl)-N-methylpiperazin-2-imine
CID 163849334
N-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
CID 164141490
2,3,5,6,7,8-Hexahydroimidazo[1,2-a]pyrazine
CID 67578460
1-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-2-imine
CID 162558506
2-(2-Methyl-4,5-dihydroimidazol-1-yl)ethanamine;hydrochloride
CID 54612263

Frequently Asked Questions

What is the IUPAC name of dimethyl(piperazin-2-ylidene)azanium?
The IUPAC name of dimethyl(piperazin-2-ylidene)azanium (CID 57293777) is dimethyl(piperazin-2-ylidene)azanium.
What is the SMILES notation for dimethyl(piperazin-2-ylidene)azanium?
The canonical SMILES for dimethyl(piperazin-2-ylidene)azanium is C[N+](C)=C1CNCCN1.
What is the InChIKey of dimethyl(piperazin-2-ylidene)azanium?
The InChIKey is UTUWJJIPTZHBLA-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H13N3/c1-9(2)6-5-7-3-4-8-6/h7H,3-5H2,1-2H3/p+1.
What are the key properties of dimethyl(piperazin-2-ylidene)azanium?
dimethyl(piperazin-2-ylidene)azanium has a molecular weight of 128.20 g/mol, XLogP of -1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(piperazin-2-ylidene)azanium is sourced from PubChem (CID 57293777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).