(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[5-(trifluoromethyl)thiophen-3-yl]piperidin-4-ol

C14H17F3N4OS — CID 168826812

IUPAC(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[5-(trifluoromethyl)thiophen-3-yl]piperidin-4-ol
SMILESC[C@H]1C[C@@](O)(c2csc(C(F)(F)F)c2)C[C@@H](c2cn(C)nn2)N1
InChIInChI=1S/C14H17F3N4OS/c1-8-4-13(22,9-3-12(23-7-9)14(15,16)17)5-10(18-8)11-6-21(2)20-19-11/h3,6-8,10,18,22H,4-5H2,1-2H3/t8-,10-,13-/m0/s1
InChIKeyCSJXLVSYHOEIHS-FWDPORAESA-N
MW346.38 g/mol
LogP2.60
Rot. Bonds2

About (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[5-(trifluoromethyl)thiophen-3-yl]piperidin-4-ol

(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[5-(trifluoromethyl)thiophen-3-yl]piperidin-4-ol (PubChem CID 168826812) has the molecular formula C14H17F3N4OS and a molecular weight of 346.38 g/mol. Its IUPAC name is (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[5-(trifluoromethyl)thiophen-3-yl]piperidin-4-ol.

Molecular Properties

Compound Name(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[5-(trifluoromethyl)thiophen-3-yl]piperidin-4-ol
PubChem CID168826812
Molecular FormulaC14H17F3N4OS
Molecular Weight346.38 g/mol
Exact Mass346.11
IUPAC Name(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[5-(trifluoromethyl)thiophen-3-yl]piperidin-4-ol
SMILESC[C@H]1C[C@@](O)(c2csc(C(F)(F)F)c2)C[C@@H](c2cn(C)nn2)N1
InChIInChI=1S/C14H17F3N4OS/c1-8-4-13(22,9-3-12(23-7-9)14(15,16)17)5-10(18-8)11-6-21(2)20-19-11/h3,6-8,10,18,22H,4-5H2,1-2H3/t8-,10-,13-/m0/s1
InChIKeyCSJXLVSYHOEIHS-FWDPORAESA-N
XLogP2.60
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[5-(trifluoromethyl)thiophen-3-yl]piperidin-4-ol?
The IUPAC name of (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[5-(trifluoromethyl)thiophen-3-yl]piperidin-4-ol (CID 168826812) is (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[5-(trifluoromethyl)thiophen-3-yl]piperidin-4-ol.
What is the SMILES notation for (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[5-(trifluoromethyl)thiophen-3-yl]piperidin-4-ol?
The canonical SMILES for (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[5-(trifluoromethyl)thiophen-3-yl]piperidin-4-ol is C[C@H]1C[C@@](O)(c2csc(C(F)(F)F)c2)C[C@@H](c2cn(C)nn2)N1.
What is the InChIKey of (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[5-(trifluoromethyl)thiophen-3-yl]piperidin-4-ol?
The InChIKey is CSJXLVSYHOEIHS-FWDPORAESA-N. The full InChI is InChI=1S/C14H17F3N4OS/c1-8-4-13(22,9-3-12(23-7-9)14(15,16)17)5-10(18-8)11-6-21(2)20-19-11/h3,6-8,10,18,22H,4-5H2,1-2H3/t8-,10-,13-/m0/s1.
What are the key properties of (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[5-(trifluoromethyl)thiophen-3-yl]piperidin-4-ol?
(2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[5-(trifluoromethyl)thiophen-3-yl]piperidin-4-ol has a molecular weight of 346.38 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,6S)-2-methyl-6-(1-methyltriazol-4-yl)-4-[5-(trifluoromethyl)thiophen-3-yl]piperidin-4-ol is sourced from PubChem (CID 168826812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).