4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol

C22H22FN3O3S — CID 155263877

IUPAC4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol
SMILESCS(=O)(=O)c1ccc(-c2cncc(N3CCC(O)(c4ccc(F)cc4)CC3)n2)cc1
InChIInChI=1S/C22H22FN3O3S/c1-30(28,29)19-8-2-16(3-9-19)20-14-24-15-21(25-20)26-12-10-22(27,11-13-26)17-4-6-18(23)7-5-17/h2-9,14-15,27H,10-13H2,1H3
InChIKeyDEZIQPAUORXFOU-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.17
Rot. Bonds4

About 4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol

4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol (PubChem CID 155263877) has the molecular formula C22H22FN3O3S and a molecular weight of 427.50 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol
PubChem CID155263877
Molecular FormulaC22H22FN3O3S
Molecular Weight427.50 g/mol
Exact Mass427.14
IUPAC Name4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol
SMILESCS(=O)(=O)c1ccc(-c2cncc(N3CCC(O)(c4ccc(F)cc4)CC3)n2)cc1
InChIInChI=1S/C22H22FN3O3S/c1-30(28,29)19-8-2-16(3-9-19)20-14-24-15-21(25-20)26-12-10-22(27,11-13-26)17-4-6-18(23)7-5-17/h2-9,14-15,27H,10-13H2,1H3
InChIKeyDEZIQPAUORXFOU-UHFFFAOYSA-N
XLogP3.17
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenyl)-1-(6-pyrimidin-5-ylpyrazin-2-yl)piperidin-4-ol
CID 155263855
4-(4-fluorophenyl)-1-[6-(4-methylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-ol
CID 155263942
4-(4-fluorophenyl)-1-quinoxalin-2-ylpiperidin-4-ol
CID 155263860
1-[6-[(Z)-3-amino-1-methyliminobut-2-en-2-yl]pyrazin-2-yl]-4-(4-fluorophenyl)piperidin-4-ol
CID 155717488
2-[2-(4-fluorophenyl)ethyl]-6-(4-methylsulfonylphenyl)pyrazine
CID 167640304
6-(4-methylsulfonylphenyl)pyrazine-2-carboxylic acid
CID 77089426
6-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 155256619
3-(4-methylpiperazin-1-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine
CID 126474348
2-(4-fluorophenyl)-6-[4-(6-methyl-3-pyridinyl)piperidin-1-yl]pyrazine
CID 166208312
N-[3-(4-fluorophenoxy)-5-(4-methylsulfonylphenoxy)phenyl]-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 90309054
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-(furan-3-yl)pyrazine
CID 6482911
4-(4-chlorophenyl)-1-(5-fluoro-2-pyridinyl)piperidin-4-ol
CID 163350268

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol (CID 155263877) is 4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol is CS(=O)(=O)c1ccc(-c2cncc(N3CCC(O)(c4ccc(F)cc4)CC3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol?
The InChIKey is DEZIQPAUORXFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3S/c1-30(28,29)19-8-2-16(3-9-19)20-14-24-15-21(25-20)26-12-10-22(27,11-13-26)17-4-6-18(23)7-5-17/h2-9,14-15,27H,10-13H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol?
4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol has a molecular weight of 427.50 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[6-(4-methylsulfonylphenyl)pyrazin-2-yl]piperidin-4-ol is sourced from PubChem (CID 155263877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).