3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile

C17H15F3N4O2 — CID 133497718

IUPAC3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)26-13-3-1-2-12(10-13)16(25)4-8-24(9-5-16)15-14(11-21)22-6-7-23-15/h1-3,6-7,10,25H,4-5,8-9H2
InChIKeyGRYUQKHZHTTWGD-UHFFFAOYSA-N
MW364.33 g/mol
LogP2.73
Rot. Bonds3

About 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile

3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133497718) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID133497718
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C17H15F3N4O2/c18-17(19,20)26-13-3-1-2-12(10-13)16(25)4-8-24(9-5-16)15-14(11-21)22-6-7-23-15/h1-3,6-7,10,25H,4-5,8-9H2
InChIKeyGRYUQKHZHTTWGD-UHFFFAOYSA-N
XLogP2.73
TPSA82.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile (CID 133497718) is 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is GRYUQKHZHTTWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c18-17(19,20)26-13-3-1-2-12(10-13)16(25)4-8-24(9-5-16)15-14(11-21)22-6-7-23-15/h1-3,6-7,10,25H,4-5,8-9H2.
What are the key properties of 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile?
3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 364.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133497718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).