2,3,4-trimethylpiperazine-1-carbaldehyde

C8H16N2O — CID 166140689

IUPAC2,3,4-trimethylpiperazine-1-carbaldehyde
SMILESCC1C(C)N(C=O)CCN1C
InChIInChI=1S/C8H16N2O/c1-7-8(2)10(6-11)5-4-9(7)3/h6-8H,4-5H2,1-3H3
InChIKeyYFEAFHKQUVQATJ-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.17
Rot. Bonds1

About 2,3,4-trimethylpiperazine-1-carbaldehyde

2,3,4-trimethylpiperazine-1-carbaldehyde (PubChem CID 166140689) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2,3,4-trimethylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name2,3,4-trimethylpiperazine-1-carbaldehyde
PubChem CID166140689
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2,3,4-trimethylpiperazine-1-carbaldehyde
SMILESCC1C(C)N(C=O)CCN1C
InChIInChI=1S/C8H16N2O/c1-7-8(2)10(6-11)5-4-9(7)3/h6-8H,4-5H2,1-3H3
InChIKeyYFEAFHKQUVQATJ-UHFFFAOYSA-N
XLogP0.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4,5-Trimethylpiperazin-1-yl)propan-1-one
CID 107241
1-(2,4,6-Trimethylpiperazin-1-yl)propan-1-one
CID 107242
4-[2-(4-Formyl-2,6-dimethyl-piperazin-1-yl)ethyl]-3,5-dimethyl-piperazine-1-carbaldehyde
CID 251553
4-[2-(4-Formyl-2,5-dimethylpiperazin-1-yl)ethyl]-2,5-dimethylpiperazine-1-carbaldehyde
CID 247527
Dimethyl 2,5-dimethylpiperazine-1,4-dicarboxylate
CID 2933274
1-Formyl-4-isopropylpiperazine
CID 18796408
2-Methylpiperazine-1,4-dicarbaldehyde
CID 268470
4-(1,1,1-Trifluoropropan-2-yl)piperazine-1-carbaldehyde
CID 145287011
4-(2-Fluoropropyl)piperazine-1-carbaldehyde
CID 160908607
(2R)-4-(2,2-difluoroethyl)-2-methylpiperazine-1-carbaldehyde
CID 175527940
4-(2,2-Difluoroethyl)-2-methylpiperazine-1-carbaldehyde
CID 175527942
4-(2-Fluoro-2-methylpropyl)piperazine-1-carbaldehyde
CID 175527974

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylpiperazine-1-carbaldehyde?
The IUPAC name of 2,3,4-trimethylpiperazine-1-carbaldehyde (CID 166140689) is 2,3,4-trimethylpiperazine-1-carbaldehyde.
What is the SMILES notation for 2,3,4-trimethylpiperazine-1-carbaldehyde?
The canonical SMILES for 2,3,4-trimethylpiperazine-1-carbaldehyde is CC1C(C)N(C=O)CCN1C.
What is the InChIKey of 2,3,4-trimethylpiperazine-1-carbaldehyde?
The InChIKey is YFEAFHKQUVQATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7-8(2)10(6-11)5-4-9(7)3/h6-8H,4-5H2,1-3H3.
What are the key properties of 2,3,4-trimethylpiperazine-1-carbaldehyde?
2,3,4-trimethylpiperazine-1-carbaldehyde has a molecular weight of 156.23 g/mol, XLogP of 0.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylpiperazine-1-carbaldehyde is sourced from PubChem (CID 166140689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).