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

C17H24F3N3O3 — CID 157039143

IUPAC(3S,5R)-1-[[(3R)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
SMILESOC1[C@H](O)CN(C[C@H]2CCCN(c3cc(C(F)(F)F)ccn3)C2)C[C@@H]1O
InChIInChI=1S/C17H24F3N3O3/c18-17(19,20)12-3-4-21-15(6-12)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
InChIKeyPAQPYIBGVZDUFA-ILMGOGQSSA-N
MW375.39 g/mol
LogP0.72
Rot. Bonds3

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

(3S,5R)-1-[[(3R)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol (PubChem CID 157039143) has the molecular formula C17H24F3N3O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is (3S,5R)-1-[[(3R)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name(3S,5R)-1-[[(3R)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
PubChem CID157039143
Molecular FormulaC17H24F3N3O3
Molecular Weight375.39 g/mol
Exact Mass375.18
IUPAC Name(3S,5R)-1-[[(3R)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
SMILESOC1[C@H](O)CN(C[C@H]2CCCN(c3cc(C(F)(F)F)ccn3)C2)C[C@@H]1O
InChIInChI=1S/C17H24F3N3O3/c18-17(19,20)12-3-4-21-15(6-12)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
InChIKeyPAQPYIBGVZDUFA-ILMGOGQSSA-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 (3S,5R)-1-[[(3R)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol with MolForge

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Launch Full Analysis

Related Compounds

(1-(Pyridin-2-yl)piperidin-4-yl)methanol
CID 10774127
4-[[1-[5-(Trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]oxan-3-ol
CID 156021463
2-{1-(Cyclohexylmethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]-2-piperazinyl}ethanol
CID 56915142
1-(5-(Trifluoromethyl)pyridin-2-yl)piperidin-4-ol
CID 21897605
(2S)-3-[methyl-[5-(trifluoromethyl)-2-pyridinyl]amino]propane-1,2-diol
CID 178273392
4-Benzyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]morpholine
CID 2810101
4-(Hydroxymethyl)-1-[3-(trifluoromethyl)pyridin-2-yl]piperidin-4-ol
CID 56747232
(3R*,4R*)-1-[5-chloro-3-(trifluoromethyl)pyridin-2-yl]-4-ethylpiperidine-3,4-diol
CID 70735075
1-(1-{[6-(Dimethylamino)-3-pyridinyl]methyl}-4-piperidinyl)-3-methyl-1-butanol
CID 70750051
3-(Piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-ol
CID 70757171
3-(Piperidin-1-ylmethyl)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-ol
CID 70759832
{4-[3-(Trifluoromethyl)pyridin-2-yl]-1,4-oxazepan-6-yl}methanol
CID 70773754

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-[[(3R)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
The IUPAC name of (3S,5R)-1-[[(3R)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol (CID 157039143) is (3S,5R)-1-[[(3R)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol.
What is the SMILES notation for (3S,5R)-1-[[(3R)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for (3S,5R)-1-[[(3R)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol is OC1[C@H](O)CN(C[C@H]2CCCN(c3cc(C(F)(F)F)ccn3)C2)C[C@@H]1O.
What is the InChIKey of (3S,5R)-1-[[(3R)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
The InChIKey is PAQPYIBGVZDUFA-ILMGOGQSSA-N. The full InChI is InChI=1S/C17H24F3N3O3/c18-17(19,20)12-3-4-21-15(6-12)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 (3S,5R)-1-[[(3R)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
(3S,5R)-1-[[(3R)-1-[4-(trifluoromethyl)-2-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 (3S,5R)-1-[[(3R)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 157039143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).