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

C18H26F3N3O3 — CID 155286680

IUPAC2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
SMILESCC1C(O)C(O)C(O)CN1C[C@@H]1CCCN(c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C18H26F3N3O3/c1-11-16(26)17(27)15(25)10-24(11)9-12-3-2-6-23(8-12)14-7-22-5-4-13(14)18(19,20)21/h4-5,7,11-12,15-17,25-27H,2-3,6,8-10H2,1H3/t11?,12-,15?,16?,17?/m1/s1
InChIKeyOTQGQOHYBKTTHN-WXWGWEELSA-N
MW389.42 g/mol
LogP1.10
Rot. Bonds3

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

2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol (PubChem CID 155286680) has the molecular formula C18H26F3N3O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
PubChem CID155286680
Molecular FormulaC18H26F3N3O3
Molecular Weight389.42 g/mol
Exact Mass389.19
IUPAC Name2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
SMILESCC1C(O)C(O)C(O)CN1C[C@@H]1CCCN(c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C18H26F3N3O3/c1-11-16(26)17(27)15(25)10-24(11)9-12-3-2-6-23(8-12)14-7-22-5-4-13(14)18(19,20)21/h4-5,7,11-12,15-17,25-27H,2-3,6,8-10H2,1H3/t11?,12-,15?,16?,17?/m1/s1
InChIKeyOTQGQOHYBKTTHN-WXWGWEELSA-N
XLogP1.10
TPSA80.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 165109184
2-(hydroxymethyl)-1-[[1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidin-4-ol
CID 157039820
3-[(3S)-3-methylpiperidin-1-yl]-4-(trifluoromethyl)pyridine
CID 175211299
(3S,5R)-1-[[(3S)-1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 166834402
(2R,3R,4R,5S)-1-[[(3R)-1-(1,3-benzothiazol-4-yl)piperidin-3-yl]methyl]-2-methylpiperidine-3,4,5-triol
CID 155302780
1-[[1-[3-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 157038983
1,2-dimethylpiperidin-4-ol;3-piperidin-1-yl-4-(trifluoromethyl)pyridine
CID 155721132
(2R,3R,4R,5S)-2-methyl-1-[[(3S)-1-(3-methyl-2-pyridinyl)pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 165061723
4-(trifluoromethyl)-3-[(3R)-3-[[(3R,5S)-3,4,5-tris(phenylmethoxy)piperidin-1-yl]methyl]pyrrolidin-1-yl]pyridine
CID 175865982
(2R,3R,4R,5S)-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 175208322
N-[[1-[2-(trifluoromethyl)phenyl]piperidin-3-yl]methyl]propan-1-amine
CID 62585621
(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[[(3S)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039629

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
The IUPAC name of 2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol (CID 155286680) is 2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol.
What is the SMILES notation for 2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
The canonical SMILES for 2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol is CC1C(O)C(O)C(O)CN1C[C@@H]1CCCN(c2cnccc2C(F)(F)F)C1.
What is the InChIKey of 2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
The InChIKey is OTQGQOHYBKTTHN-WXWGWEELSA-N. The full InChI is InChI=1S/C18H26F3N3O3/c1-11-16(26)17(27)15(25)10-24(11)9-12-3-2-6-23(8-12)14-7-22-5-4-13(14)18(19,20)21/h4-5,7,11-12,15-17,25-27H,2-3,6,8-10H2,1H3/t11?,12-,15?,16?,17?/m1/s1.
What are the key properties of 2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol?
2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol has a molecular weight of 389.42 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[(3S)-1-[4-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 155286680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).