1-amino-6-(trifluoromethyl)piperidine-2-carbaldehyde

C7H11F3N2O — CID 174617071

IUPAC1-amino-6-(trifluoromethyl)piperidine-2-carbaldehyde
SMILESNN1C(C=O)CCCC1C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)6-3-1-2-5(4-13)12(6)11/h4-6H,1-3,11H2
InChIKeyMCUSFGWMVBUKEY-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.84
Rot. Bonds1

About 1-amino-6-(trifluoromethyl)piperidine-2-carbaldehyde

1-amino-6-(trifluoromethyl)piperidine-2-carbaldehyde (PubChem CID 174617071) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 1-amino-6-(trifluoromethyl)piperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-amino-6-(trifluoromethyl)piperidine-2-carbaldehyde
PubChem CID174617071
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name1-amino-6-(trifluoromethyl)piperidine-2-carbaldehyde
SMILESNN1C(C=O)CCCC1C(F)(F)F
InChIInChI=1S/C7H11F3N2O/c8-7(9,10)6-3-1-2-5(4-13)12(6)11/h4-6H,1-3,11H2
InChIKeyMCUSFGWMVBUKEY-UHFFFAOYSA-N
XLogP0.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(trifluoromethyl)pyrrolidine-1-carbaldehyde
CID 87727190
2-(trifluoromethyl)pyrrolidine-1-carboxamide
CID 146082137
1-(3,3,3-trifluoropropyl)pyrrolidine-2-carbaldehyde
CID 84665895
2-[2-oxo-2-[2-(trifluoromethyl)pyrrolidin-1-yl]ethoxy]-1-[2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 142792132
(2R)-2-(trifluoromethyl)piperidine-1-sulfonamide
CID 66570559
[1-amino-2-(trifluoromethyl)piperidin-4-yl]methanol
CID 174355449
trans-(1R,3R)-3-(trifluoromethyl)cyclohexane-1-carbaldehyde
CID 97010124
2-formylpyrrolidine-1-sulfinic acid
CID 54491132
1-hydroxypiperidine-2-carbaldehyde
CID 173140570
1-cyclobutyl-2-(trifluoromethyl)pyrrolidine;methanol
CID 176717802
1-tert-butylazepane-2-carbaldehyde
CID 84659254
4-[2-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 165436287

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-(trifluoromethyl)piperidine-2-carbaldehyde?
The IUPAC name of 1-amino-6-(trifluoromethyl)piperidine-2-carbaldehyde (CID 174617071) is 1-amino-6-(trifluoromethyl)piperidine-2-carbaldehyde.
What is the SMILES notation for 1-amino-6-(trifluoromethyl)piperidine-2-carbaldehyde?
The canonical SMILES for 1-amino-6-(trifluoromethyl)piperidine-2-carbaldehyde is NN1C(C=O)CCCC1C(F)(F)F.
What is the InChIKey of 1-amino-6-(trifluoromethyl)piperidine-2-carbaldehyde?
The InChIKey is MCUSFGWMVBUKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c8-7(9,10)6-3-1-2-5(4-13)12(6)11/h4-6H,1-3,11H2.
What are the key properties of 1-amino-6-(trifluoromethyl)piperidine-2-carbaldehyde?
1-amino-6-(trifluoromethyl)piperidine-2-carbaldehyde has a molecular weight of 196.17 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-(trifluoromethyl)piperidine-2-carbaldehyde is sourced from PubChem (CID 174617071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).