4-methyl-2-(trifluoromethyl)piperazine-1-carbaldehyde

C7H11F3N2O — CID 144814331

IUPAC4-methyl-2-(trifluoromethyl)piperazine-1-carbaldehyde
SMILESCN1CCN(C=O)C(C(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O/c1-11-2-3-12(5-13)6(4-11)7(8,9)10/h5-6H,2-4H2,1H3
InChIKeyYJPVBTHLRMCSJS-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.32
Rot. Bonds1

About 4-methyl-2-(trifluoromethyl)piperazine-1-carbaldehyde

4-methyl-2-(trifluoromethyl)piperazine-1-carbaldehyde (PubChem CID 144814331) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)piperazine-1-carbaldehyde
PubChem CID144814331
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name4-methyl-2-(trifluoromethyl)piperazine-1-carbaldehyde
SMILESCN1CCN(C=O)C(C(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O/c1-11-2-3-12(5-13)6(4-11)7(8,9)10/h5-6H,2-4H2,1H3
InChIKeyYJPVBTHLRMCSJS-UHFFFAOYSA-N
XLogP0.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.32
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

1,4-dimethyl-2-(trifluoromethyl)piperazine
CID 89212727
2-(trifluoromethyl)pyrrolidine-1-carbaldehyde
CID 87727190
2,3,4-trimethylpiperazine-1-carbaldehyde
CID 166140689
ethane;1-methyl-3-(trifluoromethyl)pyrrolidine
CID 177172924
1-[4-(4-methoxycyclohexyl)butyl]-4-methyl-2-(trifluoromethyl)piperazine
CID 175626820
2-tert-butylpyrrolidine-1-carbaldehyde
CID 88935056
2-(2-amino-3-pyridinyl)-4-methylpiperazine-1-carbaldehyde
CID 87202531
2,4-dimethyl-1-propan-2-yl-6-(trifluoromethyl)piperazine
CID 176871806
ethane;4-methyl-2-[[methyl-(2-methylcyclopentyl)amino]methyl]piperazine-1-carbaldehyde
CID 145416347
(2S)-4-amino-2-methylpiperazine-1-carbaldehyde
CID 88935708
(3R,4R)-1-methyl-4-(trifluoromethyl)piperidin-3-amine
CID 166815435
2,2-difluoro-2-(1-methylpiperidin-4-yl)acetaldehyde
CID 105436778

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-methyl-2-(trifluoromethyl)piperazine-1-carbaldehyde (CID 144814331) is 4-methyl-2-(trifluoromethyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)piperazine-1-carbaldehyde is CN1CCN(C=O)C(C(F)(F)F)C1.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)piperazine-1-carbaldehyde?
The InChIKey is YJPVBTHLRMCSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-11-2-3-12(5-13)6(4-11)7(8,9)10/h5-6H,2-4H2,1H3.
What are the key properties of 4-methyl-2-(trifluoromethyl)piperazine-1-carbaldehyde?
4-methyl-2-(trifluoromethyl)piperazine-1-carbaldehyde has a molecular weight of 196.17 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 144814331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).