(3R,4R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol

C20H25FN2O2S — CID 70737802

IUPAC(3R,4R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
SMILESC[C@@H]1CN(c2nc(-c3ccc(F)cc3)cs2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C20H25FN2O2S/c1-14-12-23(9-8-20(14,24)16-6-10-25-11-7-16)19-22-18(13-26-19)15-2-4-17(21)5-3-15/h2-5,13-14,16,24H,6-12H2,1H3/t14-,20+/m1/s1
InChIKeyWEYQLAWEKSXSDC-VLIAUNLRSA-N
MW376.50 g/mol
LogP3.95
Rot. Bonds3

About (3R,4R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol

(3R,4R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol (PubChem CID 70737802) has the molecular formula C20H25FN2O2S and a molecular weight of 376.50 g/mol. Its IUPAC name is (3R,4R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
PubChem CID70737802
Molecular FormulaC20H25FN2O2S
Molecular Weight376.50 g/mol
Exact Mass376.16
IUPAC Name(3R,4R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
SMILESC[C@@H]1CN(c2nc(-c3ccc(F)cc3)cs2)CC[C@@]1(O)C1CCOCC1
InChIInChI=1S/C20H25FN2O2S/c1-14-12-23(9-8-20(14,24)16-6-10-25-11-7-16)19-22-18(13-26-19)15-2-4-17(21)5-3-15/h2-5,13-14,16,24H,6-12H2,1H3/t14-,20+/m1/s1
InChIKeyWEYQLAWEKSXSDC-VLIAUNLRSA-N
XLogP3.95
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-2-[(1S,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-1,3-thiazole
CID 124744189
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 133372230
(3R,4R)-1-(5,6-dimethylpyrazin-2-yl)-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 72918274
3-ethyl-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-amine
CID 166238024
(4-fluorophenyl)-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanol
CID 133372528
2-(4-ethoxypiperidin-1-yl)-4-(4-fluorophenyl)-1,3-thiazole
CID 133371636
(3S,4S)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(hydroxymethyl)-3-propylpiperidin-4-ol
CID 155916420
4-(4-fluorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole
CID 166227981
4-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)-1,3-thiazole
CID 60528753
(1S,5R)-3-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-6-methyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72892934
4-[4-(4-tert-butylphenyl)-1,3-thiazol-2-yl]morpholine
CID 174341504
2-methyl-4-(4-phenyl-1,3-thiazol-2-yl)morpholine
CID 129303181

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The IUPAC name of (3R,4R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol (CID 70737802) is (3R,4R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol is C[C@@H]1CN(c2nc(-c3ccc(F)cc3)cs2)CC[C@@]1(O)C1CCOCC1.
What is the InChIKey of (3R,4R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
The InChIKey is WEYQLAWEKSXSDC-VLIAUNLRSA-N. The full InChI is InChI=1S/C20H25FN2O2S/c1-14-12-23(9-8-20(14,24)16-6-10-25-11-7-16)19-22-18(13-26-19)15-2-4-17(21)5-3-15/h2-5,13-14,16,24H,6-12H2,1H3/t14-,20+/m1/s1.
What are the key properties of (3R,4R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol?
(3R,4R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol has a molecular weight of 376.50 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol is sourced from PubChem (CID 70737802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).