2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile

C15H17F3N4 — CID 133381233

IUPAC2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCC(NC2CC2)CC1
InChIInChI=1S/C15H17F3N4/c16-15(17,18)13-4-1-10(9-19)14(21-13)22-7-5-12(6-8-22)20-11-2-3-11/h1,4,11-12,20H,2-3,5-8H2
InChIKeyQAACICWSULKWLI-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.69
Rot. Bonds3

About 2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 133381233) has the molecular formula C15H17F3N4 and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID133381233
Molecular FormulaC15H17F3N4
Molecular Weight310.32 g/mol
Exact Mass310.14
IUPAC Name2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1N1CCC(NC2CC2)CC1
InChIInChI=1S/C15H17F3N4/c16-15(17,18)13-4-1-10(9-19)14(21-13)22-7-5-12(6-8-22)20-11-2-3-11/h1,4,11-12,20H,2-3,5-8H2
InChIKeyQAACICWSULKWLI-UHFFFAOYSA-N
XLogP2.69
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 126779013
2-(3-aminopyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79876947
2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 10244167
2-[3-(dimethylamino)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78089600
2-(3-propan-2-ylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115689794
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78998870
2-(3,4-dimethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79035367
tert-butyl N-[(3S)-1-[3-cyano-6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 71503698
6-(trifluoromethyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 58873364
2-[4-methyl-4-(methylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115305660
2-(4-hydroxy-4-methylazepan-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 107404487
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873588

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 133381233) is 2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1N1CCC(NC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is QAACICWSULKWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4/c16-15(17,18)13-4-1-10(9-19)14(21-13)22-7-5-12(6-8-22)20-11-2-3-11/h1,4,11-12,20H,2-3,5-8H2.
What are the key properties of 2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 310.32 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylamino)piperidin-1-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 133381233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).