4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile

C13H15F3N4 — CID 146105794

IUPAC4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCCC(NCC(F)(F)F)C2)ccn1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)9-19-10-2-1-5-20(8-10)12-3-4-18-11(6-12)7-17/h3-4,6,10,19H,1-2,5,8-9H2
InChIKeyMQAWIPMHOFNJCY-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.07
Rot. Bonds3

About 4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile

4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 146105794) has the molecular formula C13H15F3N4 and a molecular weight of 284.28 g/mol. Its IUPAC name is 4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID146105794
Molecular FormulaC13H15F3N4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Name4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(N2CCCC(NCC(F)(F)F)C2)ccn1
InChIInChI=1S/C13H15F3N4/c14-13(15,16)9-19-10-2-1-5-20(8-10)12-3-4-18-11(6-12)7-17/h3-4,6,10,19H,1-2,5,8-9H2
InChIKeyMQAWIPMHOFNJCY-UHFFFAOYSA-N
XLogP2.07
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluoropiperidin-1-yl)pyridine-2-carbonitrile
CID 126772752
2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197733
N-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide
CID 172880720
4-[(3S)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonitrile
CID 104892898
4-[3-(triazol-1-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 128901667
4-(4-methylsulfanylazepan-1-yl)pyridine-2-carbonitrile
CID 114237214
4-(4-hydroxypiperidin-1-yl)pyridine-2-carbonitrile
CID 62492159
4-(3-morpholin-4-ylpyrrolidin-1-yl)pyridine-2-carbonitrile
CID 63511845
(3S,4S)-1-(2-cyano-4-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063676
1-[(1R,2S)-2-[[(3R)-1-(2-cyano-4-pyridinyl)piperidin-3-yl]methyl]cyclohexyl]-3-phenylurea
CID 159202649
ethyl 4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyrimidine-2-carboxylate
CID 138014234
1-(3,4-dimethylphenyl)-N-(2,2-dimethylpropyl)piperidin-3-amine
CID 83995173

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile (CID 146105794) is 4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile is N#Cc1cc(N2CCCC(NCC(F)(F)F)C2)ccn1.
What is the InChIKey of 4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is MQAWIPMHOFNJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4/c14-13(15,16)9-19-10-2-1-5-20(8-10)12-3-4-18-11(6-12)7-17/h3-4,6,10,19H,1-2,5,8-9H2.
What are the key properties of 4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile?
4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 284.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2,2-trifluoroethylamino)piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 146105794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).