2-[(3R)-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrazine

C11H14F3N3 — CID 144513449

IUPAC2-[(3R)-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrazine
SMILESC[C@@H]1CCCN(c2cnc(C(F)(F)F)cn2)C1
InChIInChI=1S/C11H14F3N3/c1-8-3-2-4-17(7-8)10-6-15-9(5-16-10)11(12,13)14/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyZGSKBUHVQIPOOV-MRVPVSSYSA-N
MW245.25 g/mol
LogP2.73
Rot. Bonds1

About 2-[(3R)-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrazine

2-[(3R)-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrazine (PubChem CID 144513449) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-[(3R)-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-[(3R)-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrazine
PubChem CID144513449
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name2-[(3R)-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrazine
SMILESC[C@@H]1CCCN(c2cnc(C(F)(F)F)cn2)C1
InChIInChI=1S/C11H14F3N3/c1-8-3-2-4-17(7-8)10-6-15-9(5-16-10)11(12,13)14/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1
InChIKeyZGSKBUHVQIPOOV-MRVPVSSYSA-N
XLogP2.73
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Modaline
CID 17860
Pyrazine, 2-methyl-3-piperidino-, monohydrochloride
CID 83550
N,N-diethyl-2-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]ethanamine
CID 49778905
3-[2-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]ethylamino]pyrazine-2-carbonitrile
CID 71978663
N,N-dimethyl-N'-[5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
CID 164682790
N,N-dimethyl-N'-[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
CID 164683015
N'-[3,5-bis(trifluoromethyl)pyrazin-2-yl]-N,N-dimethylmethanimidamide
CID 164683151
N,N-dimethyl-N'-[6-methyl-5-(trifluoromethyl)pyrazin-2-yl]methanimidamide
CID 164683152
2-Methyl-6-piperidin-1-ylpyrazine
CID 68348554
2-[(3S)-4,4-difluoro-3-methylpiperidin-1-yl]-3-methylpyrazine
CID 125143380
5-[(3S)-3-methyl-3-propylpiperidin-1-yl]pyrazine-2-carbonitrile
CID 164642998
2-Piperazin-1-yl-6-(trifluoromethyl)pyrazine
CID 20290696

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-[(3R)-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrazine (CID 144513449) is 2-[(3R)-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-[(3R)-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-[(3R)-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrazine is C[C@@H]1CCCN(c2cnc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-[(3R)-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrazine?
The InChIKey is ZGSKBUHVQIPOOV-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-8-3-2-4-17(7-8)10-6-15-9(5-16-10)11(12,13)14/h5-6,8H,2-4,7H2,1H3/t8-/m1/s1.
What are the key properties of 2-[(3R)-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrazine?
2-[(3R)-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrazine has a molecular weight of 245.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methylpiperidin-1-yl]-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 144513449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).