3-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

C23H26FN5 — CID 92625433

IUPAC3-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccccc1-c1ccccc1CN1CCC(c2nnc3n2CCNC3)CC1
InChIInChI=1S/C23H26FN5/c24-21-8-4-3-7-20(21)19-6-2-1-5-18(19)16-28-12-9-17(10-13-28)23-27-26-22-15-25-11-14-29(22)23/h1-8,17,25H,9-16H2
InChIKeyAAIOHJCTBOQPMI-UHFFFAOYSA-N
MW391.49 g/mol
LogP3.57
Rot. Bonds4

About 3-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine

3-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 92625433) has the molecular formula C23H26FN5 and a molecular weight of 391.49 g/mol. Its IUPAC name is 3-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID92625433
Molecular FormulaC23H26FN5
Molecular Weight391.49 g/mol
Exact Mass391.22
IUPAC Name3-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccccc1-c1ccccc1CN1CCC(c2nnc3n2CCNC3)CC1
InChIInChI=1S/C23H26FN5/c24-21-8-4-3-7-20(21)19-6-2-1-5-18(19)16-28-12-9-17(10-13-28)23-27-26-22-15-25-11-14-29(22)23/h1-8,17,25H,9-16H2
InChIKeyAAIOHJCTBOQPMI-UHFFFAOYSA-N
XLogP3.57
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-1-[[2-(2-fluorophenyl)phenyl]methyl]pyrrolidin-2-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 92621518
3-(1-benzylpiperidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826231
3-[1-[(2,3-dimethylphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120826052
3-[1-(1-benzofuran-3-ylmethyl)piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120826038
7-[[2-(2-fluorophenyl)phenyl]methyl]-3-piperidin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 110262123
3-[1-[(2-fluoro-4-nitrophenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120826134
3-[1-[(2,3-difluorophenyl)methylsulfonyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 138001812
3-[1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120825901
3-[1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120825851
3-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120825646
3-[1-[[5-(trifluoromethyl)thiophen-2-yl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
CID 120847238
3-[1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 120826361

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine (CID 92625433) is 3-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is Fc1ccccc1-c1ccccc1CN1CCC(c2nnc3n2CCNC3)CC1.
What is the InChIKey of 3-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is AAIOHJCTBOQPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5/c24-21-8-4-3-7-20(21)19-6-2-1-5-18(19)16-28-12-9-17(10-13-28)23-27-26-22-15-25-11-14-29(22)23/h1-8,17,25H,9-16H2.
What are the key properties of 3-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine?
3-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 391.49 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[2-(2-fluorophenyl)phenyl]methyl]piperidin-4-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 92625433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).