2-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrazine

C16H16F3N3 — CID 95823573

IUPAC2-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrazine
SMILESFC(F)(F)c1ccc(-c2cnc(C3CCNCC3)cn2)cc1
InChIInChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-11(2-4-13)14-9-22-15(10-21-14)12-5-7-20-8-6-12/h1-4,9-10,12,20H,5-8H2
InChIKeyAPKGRTPHTUGUJL-UHFFFAOYSA-N
MW307.32 g/mol
LogP3.63
Rot. Bonds2

About 2-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrazine

2-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrazine (PubChem CID 95823573) has the molecular formula C16H16F3N3 and a molecular weight of 307.32 g/mol. Its IUPAC name is 2-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrazine.

Molecular Properties

Compound Name2-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrazine
PubChem CID95823573
Molecular FormulaC16H16F3N3
Molecular Weight307.32 g/mol
Exact Mass307.13
IUPAC Name2-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrazine
SMILESFC(F)(F)c1ccc(-c2cnc(C3CCNCC3)cn2)cc1
InChIInChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-11(2-4-13)14-9-22-15(10-21-14)12-5-7-20-8-6-12/h1-4,9-10,12,20H,5-8H2
InChIKeyAPKGRTPHTUGUJL-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrazine?
The IUPAC name of 2-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrazine (CID 95823573) is 2-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrazine.
What is the SMILES notation for 2-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrazine?
The canonical SMILES for 2-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrazine is FC(F)(F)c1ccc(-c2cnc(C3CCNCC3)cn2)cc1.
What is the InChIKey of 2-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrazine?
The InChIKey is APKGRTPHTUGUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3/c17-16(18,19)13-3-1-11(2-4-13)14-9-22-15(10-21-14)12-5-7-20-8-6-12/h1-4,9-10,12,20H,5-8H2.
What are the key properties of 2-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrazine?
2-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrazine has a molecular weight of 307.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-5-[4-(trifluoromethyl)phenyl]pyrazine is sourced from PubChem (CID 95823573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).