4-formyl-2,6-dimethylpiperazine-1-carboximidamide

C8H16N4O — CID 139631126

IUPAC4-formyl-2,6-dimethylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1C(C)CN(C=O)CC1C
InChIInChI=1S/C8H16N4O/c1-6-3-11(5-13)4-7(2)12(6)8(9)10/h5-7H,3-4H2,1-2H3,(H3,9,10)
InChIKeyXSZUFENPCUEIHR-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.57
Rot. Bonds1

About 4-formyl-2,6-dimethylpiperazine-1-carboximidamide

4-formyl-2,6-dimethylpiperazine-1-carboximidamide (PubChem CID 139631126) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-formyl-2,6-dimethylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-formyl-2,6-dimethylpiperazine-1-carboximidamide
PubChem CID139631126
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name4-formyl-2,6-dimethylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1C(C)CN(C=O)CC1C
InChIInChI=1S/C8H16N4O/c1-6-3-11(5-13)4-7(2)12(6)8(9)10/h5-7H,3-4H2,1-2H3,(H3,9,10)
InChIKeyXSZUFENPCUEIHR-UHFFFAOYSA-N
XLogP-0.57
TPSA73.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2,4,6-trimethylpiperazine-1-carboximidamide
CID 20641639
(2R)-2-methylazetidine-1-carboximidamide
CID 146189041
(2R,3S)-1-carbamimidoyl-2-methylazetidine-3-carboxylic acid
CID 118493172
3,4,5-trimethylpiperidine-1-carbaldehyde
CID 143533712
4-hydroxy-3,5-dimethylpiperidine-1-carboximidamide
CID 170614400
(3R,5S)-3,5-dimethylpiperazine-1-carboximidamide
CID 45088464
2-methylpyrrolidine-1-carboximidamide
CID 60974504
(2R,6S)-2,6-dimethylmorpholine-4-carbaldehyde
CID 45083500
(2S,6R)-2,6-dimethylthiomorpholine-4-carbaldehyde
CID 154158068
2-[4-[(3S,5R)-4-carbamimidoyl-3,5-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethyl butanoate
CID 22088620
3-amino-4-hydroxypyrrolidine-1-carbaldehyde
CID 135165674
methyl 1-carbamimidoylazetidine-3-carboxylate
CID 178200661

Frequently Asked Questions

What is the IUPAC name of 4-formyl-2,6-dimethylpiperazine-1-carboximidamide?
The IUPAC name of 4-formyl-2,6-dimethylpiperazine-1-carboximidamide (CID 139631126) is 4-formyl-2,6-dimethylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-formyl-2,6-dimethylpiperazine-1-carboximidamide?
The canonical SMILES for 4-formyl-2,6-dimethylpiperazine-1-carboximidamide is [H]/N=C(\N)N1C(C)CN(C=O)CC1C.
What is the InChIKey of 4-formyl-2,6-dimethylpiperazine-1-carboximidamide?
The InChIKey is XSZUFENPCUEIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-6-3-11(5-13)4-7(2)12(6)8(9)10/h5-7H,3-4H2,1-2H3,(H3,9,10).
What are the key properties of 4-formyl-2,6-dimethylpiperazine-1-carboximidamide?
4-formyl-2,6-dimethylpiperazine-1-carboximidamide has a molecular weight of 184.24 g/mol, XLogP of -0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-2,6-dimethylpiperazine-1-carboximidamide is sourced from PubChem (CID 139631126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).