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

C10H12F3N3 — CID 126851061

IUPAC2-[4-(trifluoromethyl)piperidin-1-yl]pyrazine
SMILESFC(F)(F)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-1-5-16(6-2-8)9-7-14-3-4-15-9/h3-4,7-8H,1-2,5-6H2
InChIKeyZWKQRYLJVMJKOL-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.26
Rot. Bonds1

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

2-[4-(trifluoromethyl)piperidin-1-yl]pyrazine (PubChem CID 126851061) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)piperidin-1-yl]pyrazine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)piperidin-1-yl]pyrazine
PubChem CID126851061
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name2-[4-(trifluoromethyl)piperidin-1-yl]pyrazine
SMILESFC(F)(F)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-1-5-16(6-2-8)9-7-14-3-4-15-9/h3-4,7-8H,1-2,5-6H2
InChIKeyZWKQRYLJVMJKOL-UHFFFAOYSA-N
XLogP2.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Piperidin-1-yl)pyrazine
CID 269231
2-Chloro-6-(4-methylpiperidin-1-yl)pyrazine
CID 25539137
3-Pyrazin-2-yl-8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octane
CID 134789360
8-Pyrazin-2-yl-8-azaspiro[4.5]decane
CID 84584354
2-(4-Methylpiperidin-1-yl)pyrazine
CID 57856373
9-Pyrazin-2-yl-2-(3,3,3-trifluoropropyl)-2,9-diazaspiro[5.5]undecane
CID 97393878
2-[4-Methoxy-4-(trifluoromethyl)piperidin-1-yl]pyrazine
CID 122243096
2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine
CID 125143380
9-(Cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 131645863
2-Chloro-6-(4,4-difluoropiperidin-1-yl)pyrazine
CID 86725090
2-Bromo-5-(4,4-difluoro-1-piperidyl)pyrazine
CID 117770714
3-(5-Bromopyrazin-2-yl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
CID 118961330

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)piperidin-1-yl]pyrazine?
The IUPAC name of 2-[4-(trifluoromethyl)piperidin-1-yl]pyrazine (CID 126851061) is 2-[4-(trifluoromethyl)piperidin-1-yl]pyrazine.
What is the SMILES notation for 2-[4-(trifluoromethyl)piperidin-1-yl]pyrazine?
The canonical SMILES for 2-[4-(trifluoromethyl)piperidin-1-yl]pyrazine is FC(F)(F)C1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-[4-(trifluoromethyl)piperidin-1-yl]pyrazine?
The InChIKey is ZWKQRYLJVMJKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)8-1-5-16(6-2-8)9-7-14-3-4-15-9/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 2-[4-(trifluoromethyl)piperidin-1-yl]pyrazine?
2-[4-(trifluoromethyl)piperidin-1-yl]pyrazine has a molecular weight of 231.22 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)piperidin-1-yl]pyrazine is sourced from PubChem (CID 126851061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).