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

C24H23FN4OS — CID 46902500

IUPAC(3R,4R,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-WXFUMESZSA-N
MW434.54 g/mol
LogP4.69
Rot. Bonds5

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

(3R,4R,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol (PubChem CID 46902500) has the molecular formula C24H23FN4OS and a molecular weight of 434.54 g/mol. Its IUPAC name is (3R,4R,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol
PubChem CID46902500
Molecular FormulaC24H23FN4OS
Molecular Weight434.54 g/mol
Exact Mass434.16
IUPAC Name(3R,4R,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-WXFUMESZSA-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 (3R,4R,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol?
The IUPAC name of (3R,4R,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol (CID 46902500) is (3R,4R,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol?
The canonical SMILES for (3R,4R,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 (3R,4R,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol?
The InChIKey is GKOCBPKFAWMLBJ-WXFUMESZSA-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 (3R,4R,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol?
(3R,4R,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 (3R,4R,6R)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-phenyl-1-(thiophen-2-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 46902500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).