1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carbonitrile

C11H11F3N4 — CID 19903221

IUPAC1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)10-16-4-1-9(17-10)18-5-2-8(7-15)3-6-18/h1,4,8H,2-3,5-6H2
InChIKeyRRSKMELBBBHDKH-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.24
Rot. Bonds1

About 1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carbonitrile

1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carbonitrile (PubChem CID 19903221) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carbonitrile
PubChem CID19903221
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carbonitrile
SMILESN#CC1CCN(c2ccnc(C(F)(F)F)n2)CC1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)10-16-4-1-9(17-10)18-5-2-8(7-15)3-6-18/h1,4,8H,2-3,5-6H2
InChIKeyRRSKMELBBBHDKH-UHFFFAOYSA-N
XLogP2.24
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Piperidin-1-ylpyrimidin-2-amine
CID 295758
2-Chloro-4-(4-methylpiperidin-1-yl)pyrimidine
CID 21939227
N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]pyrimidin-2-amine
CID 71978664
2-(Piperidin-4-yl)pyrimidin-4-amine
CID 45788839
1-(1-(Pyrimidin-4-yl)piperidin-4-yl)methanamine dihydrochloride
CID 165694152
2-[4-(Difluoromethyl)piperidin-1-yl]pyrimidine
CID 126768331
2-(4,4-difluoropiperidin-1-yl)-N-ethylpyrimidin-4-amine
CID 50959945
N-{[1-(2-Methoxyethyl)piperidin-4-YL]methyl}-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 72856404
3-[2-Ethylbutyl(pyrimidin-2-yl)amino]propanenitrile
CID 75432376
1-Pyrimidin-2-ylpiperidine-4-carbonitrile
CID 75528236
2-N,2-N,4-N-trimethyl-4-N-[[(3S)-1-methylpiperidin-3-yl]methyl]pyrimidine-2,4-diamine
CID 97317804
2-[[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]methyl]pyrimidine
CID 164628608

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carbonitrile?
The IUPAC name of 1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carbonitrile (CID 19903221) is 1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carbonitrile is N#CC1CCN(c2ccnc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carbonitrile?
The InChIKey is RRSKMELBBBHDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c12-11(13,14)10-16-4-1-9(17-10)18-5-2-8(7-15)3-6-18/h1,4,8H,2-3,5-6H2.
What are the key properties of 1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carbonitrile?
1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carbonitrile has a molecular weight of 256.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carbonitrile is sourced from PubChem (CID 19903221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).