2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine

C11H13ClF3N3 — CID 103054322

IUPAC2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine
SMILESFC(F)(F)C1CCN(Cc2cnc(Cl)cn2)CC1
InChIInChI=1S/C11H13ClF3N3/c12-10-6-16-9(5-17-10)7-18-3-1-8(2-4-18)11(13,14)15/h5-6,8H,1-4,7H2
InChIKeyZAMNRDMMGIZWHZ-UHFFFAOYSA-N
MW279.69 g/mol
LogP2.90
Rot. Bonds2

About 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine

2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine (PubChem CID 103054322) has the molecular formula C11H13ClF3N3 and a molecular weight of 279.69 g/mol. Its IUPAC name is 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine
PubChem CID103054322
Molecular FormulaC11H13ClF3N3
Molecular Weight279.69 g/mol
Exact Mass279.08
IUPAC Name2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine
SMILESFC(F)(F)C1CCN(Cc2cnc(Cl)cn2)CC1
InChIInChI=1S/C11H13ClF3N3/c12-10-6-16-9(5-17-10)7-18-3-1-8(2-4-18)11(13,14)15/h5-6,8H,1-4,7H2
InChIKeyZAMNRDMMGIZWHZ-UHFFFAOYSA-N
XLogP2.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine
CID 103054128
2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 79764598
2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine
CID 103054391
2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 106993824
2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 131703770
1-[(5-chloropyrazin-2-yl)methyl]piperidin-3-ol
CID 103054140
4-[(5-chloropyrazin-2-yl)methyl]-1,4-oxazepane
CID 103054257
2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine
CID 103054050
7-[(5-chloropyrazin-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 103054313
trimethyl-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]silane
CID 103438463
2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine
CID 103055291
1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine
CID 172647988

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine?
The IUPAC name of 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine (CID 103054322) is 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine?
The canonical SMILES for 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine is FC(F)(F)C1CCN(Cc2cnc(Cl)cn2)CC1.
What is the InChIKey of 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine?
The InChIKey is ZAMNRDMMGIZWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3/c12-10-6-16-9(5-17-10)7-18-3-1-8(2-4-18)11(13,14)15/h5-6,8H,1-4,7H2.
What are the key properties of 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine?
2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine has a molecular weight of 279.69 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine is sourced from PubChem (CID 103054322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).