1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine

C12H16F3N3 — CID 171700809

IUPAC1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C12H16F3N3/c13-12(14,15)10-18-7-5-17(6-8-18)9-11-3-1-2-4-16-11/h1-4H,5-10H2
InChIKeyCLETZKNSBTUKFR-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.76
Rot. Bonds3

About 1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine

1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine (PubChem CID 171700809) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine.

Molecular Properties

Compound Name1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
PubChem CID171700809
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC Name1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
SMILESFC(F)(F)CN1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C12H16F3N3/c13-12(14,15)10-18-7-5-17(6-8-18)9-11-3-1-2-4-16-11/h1-4H,5-10H2
InChIKeyCLETZKNSBTUKFR-UHFFFAOYSA-N
XLogP1.76
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 84598131
2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 131703770
2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56865012
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
N-(2-pyridin-2-ylethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43761376
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
1-(pyridin-2-ylmethyl)piperazine;bis(2,2,2-trifluoroacetic acid)
CID 22648051
2-[(4-bromopiperidin-1-yl)methyl]pyridine
CID 80680400
1-(2-methylprop-2-enyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134055422
1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanol
CID 141230440
4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 47052276
methanamine;1-(pyridin-2-ylmethyl)piperazine
CID 142253020

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The IUPAC name of 1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine (CID 171700809) is 1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine.
What is the SMILES notation for 1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The canonical SMILES for 1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine is FC(F)(F)CN1CCN(Cc2ccccn2)CC1.
What is the InChIKey of 1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
The InChIKey is CLETZKNSBTUKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c13-12(14,15)10-18-7-5-17(6-8-18)9-11-3-1-2-4-16-11/h1-4H,5-10H2.
What are the key properties of 1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine?
1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine has a molecular weight of 259.27 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-2-ylmethyl)-4-(2,2,2-trifluoroethyl)piperazine is sourced from PubChem (CID 171700809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).