(4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol

C21H20F2N2OS — CID 133372528

IUPAC(4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol
SMILESOC(c1ccc(F)cc1)C1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C21H20F2N2OS/c22-17-5-1-14(2-6-17)19-13-27-21(24-19)25-11-9-16(10-12-25)20(26)15-3-7-18(23)8-4-15/h1-8,13,16,20,26H,9-12H2
InChIKeySUEULBPKRRHPNF-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.04
Rot. Bonds4

About (4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol

(4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol (PubChem CID 133372528) has the molecular formula C21H20F2N2OS and a molecular weight of 386.47 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol
PubChem CID133372528
Molecular FormulaC21H20F2N2OS
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name(4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol
SMILESOC(c1ccc(F)cc1)C1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C21H20F2N2OS/c22-17-5-1-14(2-6-17)19-13-27-21(24-19)25-11-9-16(10-12-25)20(26)15-3-7-18(23)8-4-15/h1-8,13,16,20,26H,9-12H2
InChIKeySUEULBPKRRHPNF-UHFFFAOYSA-N
XLogP5.04
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole
CID 133371636
4-(4-fluorophenyl)-2-[(1S,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-1,3-thiazole
CID 124744189
4-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
CID 166227981
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 133371229
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 133372230
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 133371960
3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine
CID 166238024
cyclohexyl-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 1438379
cyclopropyl-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,4-diazepan-1-yl]methanone
CID 133499169
3-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]thiolane 1,1-dioxide
CID 133383433
N-benzyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 133370734
(3S,4S)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(hydroxymethyl)-3-propylpiperidin-4-ol
CID 155916420

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol (CID 133372528) is (4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol is OC(c1ccc(F)cc1)C1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol?
The InChIKey is SUEULBPKRRHPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2OS/c22-17-5-1-14(2-6-17)19-13-27-21(24-19)25-11-9-16(10-12-25)20(26)15-3-7-18(23)8-4-15/h1-8,13,16,20,26H,9-12H2.
What are the key properties of (4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol?
(4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol has a molecular weight of 386.47 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 133372528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).