(3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol

C24H23FN4OS — CID 46902568

IUPAC(3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol
SMILESO[C@H]1CN(Cc2cccs2)[C@@H](c2ccccc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C24H23FN4OS/c25-19-10-8-17(9-11-19)21-15-29(27-26-21)23-13-22(18-5-2-1-3-6-18)28(16-24(23)30)14-20-7-4-12-31-20/h1-12,15,22-24,30H,13-14,16H2/t22-,23+,24+/m1/s1
InChIKeyGKOCBPKFAWMLBJ-SGNDLWITSA-N
MW434.54 g/mol
LogP4.69
Rot. Bonds5

About (3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol

(3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol (PubChem CID 46902568) has the molecular formula C24H23FN4OS and a molecular weight of 434.54 g/mol. Its IUPAC name is (3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol
PubChem CID46902568
Molecular FormulaC24H23FN4OS
Molecular Weight434.54 g/mol
Exact Mass434.16
IUPAC Name(3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol
SMILESO[C@H]1CN(Cc2cccs2)[C@@H](c2ccccc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1
InChIInChI=1S/C24H23FN4OS/c25-19-10-8-17(9-11-19)21-15-29(27-26-21)23-13-22(18-5-2-1-3-6-18)28(16-24(23)30)14-20-7-4-12-31-20/h1-12,15,22-24,30H,13-14,16H2/t22-,23+,24+/m1/s1
InChIKeyGKOCBPKFAWMLBJ-SGNDLWITSA-N
XLogP4.69
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[5-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]thiophen-3-yl]phenyl]methanol
CID 89943696
[4-[5-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]thiophen-3-yl]phenyl]methanol
CID 89943716
(3R,4R,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-1-hexyl-6-(4-methylphenyl)piperidin-3-ol
CID 46902512
[(2R,4S,5S)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxy-2-(4-methylphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 46902542
(3S,4S,6R)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methylphenyl)-1-(thiophen-2-ylmethyl)piperidin-3-ol
CID 46902577
(3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-3-ol
CID 46902593
[(2R,4S,5S)-4-[4-(4-fluorophenyl)triazol-1-yl]-5-hydroxy-2-(4-methylphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 46903156
[(2R,4R,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxy-2-(4-methylphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 46903185
[4-[5-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]thiophen-2-yl]-2-fluorophenyl]methanol
CID 155523360
2-[4-[5-[1-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]triazol-4-yl]thiophen-2-yl]phenyl]ethanol
CID 155532527
(3R,4R,6R)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methylphenyl)-1-(thiophen-2-ylmethyl)piperidin-3-ol
CID 46902510
(2R,4R,5R)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-1-(thiophen-2-ylmethyl)piperidin-4-ol
CID 46902613

Frequently Asked Questions

What is the IUPAC name of (3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol?
The IUPAC name of (3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol (CID 46902568) is (3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol.
What is the SMILES notation for (3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol?
The canonical SMILES for (3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol is O[C@H]1CN(Cc2cccs2)[C@@H](c2ccccc2)C[C@@H]1n1cc(-c2ccc(F)cc2)nn1.
What is the InChIKey of (3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol?
The InChIKey is GKOCBPKFAWMLBJ-SGNDLWITSA-N. The full InChI is InChI=1S/C24H23FN4OS/c25-19-10-8-17(9-11-19)21-15-29(27-26-21)23-13-22(18-5-2-1-3-6-18)28(16-24(23)30)14-20-7-4-12-31-20/h1-12,15,22-24,30H,13-14,16H2/t22-,23+,24+/m1/s1.
What are the key properties of (3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol?
(3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol has a molecular weight of 434.54 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 46902568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).