1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol

C15H22F3N3O3S — CID 157038990

IUPAC1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
SMILESOC1CN(C[C@H]2CCCN(c3nc(C(F)(F)F)cs3)C2)CC(O)C1O
InChIInChI=1S/C15H22F3N3O3S/c16-15(17,18)12-8-25-14(19-12)21-3-1-2-9(5-21)4-20-6-10(22)13(24)11(23)7-20/h8-11,13,22-24H,1-7H2/t9-,10?,11?,13?/m1/s1
InChIKeyILTXNDSSGDOTPC-VHSBIODMSA-N
MW381.42 g/mol
LogP0.78
Rot. Bonds3

About 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol

1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol (PubChem CID 157038990) has the molecular formula C15H22F3N3O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
PubChem CID157038990
Molecular FormulaC15H22F3N3O3S
Molecular Weight381.42 g/mol
Exact Mass381.13
IUPAC Name1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
SMILESOC1CN(C[C@H]2CCCN(c3nc(C(F)(F)F)cs3)C2)CC(O)C1O
InChIInChI=1S/C15H22F3N3O3S/c16-15(17,18)12-8-25-14(19-12)21-3-1-2-9(5-21)4-20-6-10(22)13(24)11(23)7-20/h8-11,13,22-24H,1-7H2/t9-,10?,11?,13?/m1/s1
InChIKeyILTXNDSSGDOTPC-VHSBIODMSA-N
XLogP0.78
TPSA80.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286470
(2R,3R,4R,5S)-2-methyl-1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286474
(2R,3R,4R,5S)-2-methyl-1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286502
(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286554
(2R,3R,4R,5S)-2-methyl-1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286556
2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286629
2-Methyl-1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286630
2-Methyl-1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidin-4-ol
CID 155302522
(2R,3R,4R,5S)-2-methyl-1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155302696
2-Methyl-1-[[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 155302765
1,2-Dimethylpiperidin-4-ol;2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole
CID 155721188
1-[[1-[4-(Trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 157039042

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
The IUPAC name of 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol (CID 157038990) is 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol.
What is the SMILES notation for 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol is OC1CN(C[C@H]2CCCN(c3nc(C(F)(F)F)cs3)C2)CC(O)C1O.
What is the InChIKey of 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
The InChIKey is ILTXNDSSGDOTPC-VHSBIODMSA-N. The full InChI is InChI=1S/C15H22F3N3O3S/c16-15(17,18)12-8-25-14(19-12)21-3-1-2-9(5-21)4-20-6-10(22)13(24)11(23)7-20/h8-11,13,22-24H,1-7H2/t9-,10?,11?,13?/m1/s1.
What are the key properties of 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol has a molecular weight of 381.42 g/mol, XLogP of 0.78, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 157038990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).