(2R,4S,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-phenyl-1-(thiophen-2-ylmethyl)piperidin-4-ol

C24H23FN4OS — CID 53245368

IUPAC(2R,4S,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-phenyl-1-(thiophen-2-ylmethyl)piperidin-4-ol
SMILESO[C@H]1C[C@H](c2ccccc2)N(Cc2cccs2)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)23-16-28(14-20-7-4-12-31-20)22(13-24(23)30)18-5-2-1-3-6-18/h1-12,15,22-24,30H,13-14,16H2/t22-,23-,24+/m1/s1
InChIKeyCWIDKNYRKVJIET-SMIHKQSGSA-N
MW434.54 g/mol
LogP4.69
Rot. Bonds5

About (2R,4S,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-phenyl-1-(thiophen-2-ylmethyl)piperidin-4-ol

(2R,4S,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-phenyl-1-(thiophen-2-ylmethyl)piperidin-4-ol (PubChem CID 53245368) has the molecular formula C24H23FN4OS and a molecular weight of 434.54 g/mol. Its IUPAC name is (2R,4S,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-phenyl-1-(thiophen-2-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name(2R,4S,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-phenyl-1-(thiophen-2-ylmethyl)piperidin-4-ol
PubChem CID53245368
Molecular FormulaC24H23FN4OS
Molecular Weight434.54 g/mol
Exact Mass434.16
IUPAC Name(2R,4S,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-phenyl-1-(thiophen-2-ylmethyl)piperidin-4-ol
SMILESO[C@H]1C[C@H](c2ccccc2)N(Cc2cccs2)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)23-16-28(14-20-7-4-12-31-20)22(13-24(23)30)18-5-2-1-3-6-18/h1-12,15,22-24,30H,13-14,16H2/t22-,23-,24+/m1/s1
InChIKeyCWIDKNYRKVJIET-SMIHKQSGSA-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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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-phenyl-1-(thiophen-2-ylmethyl)piperidin-4-ol?
The IUPAC name of (2R,4S,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-phenyl-1-(thiophen-2-ylmethyl)piperidin-4-ol (CID 53245368) is (2R,4S,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-phenyl-1-(thiophen-2-ylmethyl)piperidin-4-ol.
What is the SMILES notation for (2R,4S,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-phenyl-1-(thiophen-2-ylmethyl)piperidin-4-ol?
The canonical SMILES for (2R,4S,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-phenyl-1-(thiophen-2-ylmethyl)piperidin-4-ol is O[C@H]1C[C@H](c2ccccc2)N(Cc2cccs2)C[C@H]1n1cc(-c2ccc(F)cc2)nn1.
What is the InChIKey of (2R,4S,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-phenyl-1-(thiophen-2-ylmethyl)piperidin-4-ol?
The InChIKey is CWIDKNYRKVJIET-SMIHKQSGSA-N. The full InChI is InChI=1S/C24H23FN4OS/c25-19-10-8-17(9-11-19)21-15-29(27-26-21)23-16-28(14-20-7-4-12-31-20)22(13-24(23)30)18-5-2-1-3-6-18/h1-12,15,22-24,30H,13-14,16H2/t22-,23-,24+/m1/s1.
What are the key properties of (2R,4S,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-phenyl-1-(thiophen-2-ylmethyl)piperidin-4-ol?
(2R,4S,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-phenyl-1-(thiophen-2-ylmethyl)piperidin-4-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 (2R,4S,5R)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-phenyl-1-(thiophen-2-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 53245368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).