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

C17H24F3N3O3 — CID 157039339

IUPAC1-[[(3R)-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
SMILESOC1CN(C[C@H]2CCCN(c3ccnc(C(F)(F)F)c3)C2)CC(O)C1O
InChIInChI=1S/C17H24F3N3O3/c18-17(19,20)15-6-12(3-4-21-15)23-5-1-2-11(8-23)7-22-9-13(24)16(26)14(25)10-22/h3-4,6,11,13-14,16,24-26H,1-2,5,7-10H2/t11-,13?,14?,16?/m1/s1
InChIKeyYIYSAUMHXRLHLB-NYKNNPSKSA-N
MW375.39 g/mol
LogP0.72
Rot. Bonds3

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

1-[[(3R)-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol (PubChem CID 157039339) has the molecular formula C17H24F3N3O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 1-[[(3R)-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name1-[[(3R)-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
PubChem CID157039339
Molecular FormulaC17H24F3N3O3
Molecular Weight375.39 g/mol
Exact Mass375.18
IUPAC Name1-[[(3R)-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
SMILESOC1CN(C[C@H]2CCCN(c3ccnc(C(F)(F)F)c3)C2)CC(O)C1O
InChIInChI=1S/C17H24F3N3O3/c18-17(19,20)15-6-12(3-4-21-15)23-5-1-2-11(8-23)7-22-9-13(24)16(26)14(25)10-22/h3-4,6,11,13-14,16,24-26H,1-2,5,7-10H2/t11-,13?,14?,16?/m1/s1
InChIKeyYIYSAUMHXRLHLB-NYKNNPSKSA-N
XLogP0.72
TPSA80.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[[(3R)-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol with MolForge

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Launch Full Analysis

Related Compounds

(3R*,4R*)-4-amino-1-{[6-(trifluoromethyl)pyridin-3-yl]methyl}piperidin-3-ol
CID 70710424
[(3S)-1-[2-(difluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methanol
CID 177663847
(3R,4R,5S)-3-amino-1-pyridin-4-yl-5-(trifluoromethyl)piperidin-4-ol
CID 141444675
3-[1-[2-(3,3-Difluoro-3-hydroxyprop-1-ynyl)-4-pyridinyl]piperidin-4-yl]oxycyclobutan-1-ol;ethane
CID 153330253
3-[1-[2-(3,3-Difluoro-3-hydroxyprop-1-ynyl)-4-pyridinyl]piperidin-4-yl]oxycyclobutan-1-ol
CID 153330254
3-[1-[2-(3,3-Difluoro-3-propan-2-yloxyprop-1-ynyl)-4-pyridinyl]piperidin-4-yl]oxycyclobutan-1-ol;ethane
CID 153544262
1-[3-Fluoro-2-(2-fluorophenyl)-4-pyridinyl]-3-methylpiperidin-4-ol
CID 154502028
(2R,3R,4R,5S)-2-methyl-1-[[(3R)-1-[5-(trifluoromethyl)pyridin-3-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286456
(2R,3R,4R,5S)-2-methyl-1-[[1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286458
(2R,3R,4R,5S)-2-methyl-1-[[(3R)-1-[2-(trifluoromethyl)pyridin-3-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286482
(2R,3R,4R,5S)-2-methyl-1-[[1-[2-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286485
(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)pyridin-3-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
CID 155286519

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
The IUPAC name of 1-[[(3R)-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol (CID 157039339) is 1-[[(3R)-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol.
What is the SMILES notation for 1-[[(3R)-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for 1-[[(3R)-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol is OC1CN(C[C@H]2CCCN(c3ccnc(C(F)(F)F)c3)C2)CC(O)C1O.
What is the InChIKey of 1-[[(3R)-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
The InChIKey is YIYSAUMHXRLHLB-NYKNNPSKSA-N. The full InChI is InChI=1S/C17H24F3N3O3/c18-17(19,20)15-6-12(3-4-21-15)23-5-1-2-11(8-23)7-22-9-13(24)16(26)14(25)10-22/h3-4,6,11,13-14,16,24-26H,1-2,5,7-10H2/t11-,13?,14?,16?/m1/s1.
What are the key properties of 1-[[(3R)-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
1-[[(3R)-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol has a molecular weight of 375.39 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 157039339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).