N-[(3R,4R)-3,4-dihydroxypiperidin-2-yl]-2,2,2-trifluoroacetamide

C7H11F3N2O3 — CID 88945088

IUPACN-[(3R,4R)-3,4-dihydroxypiperidin-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(NC1NCC[C@@H](O)[C@@H]1O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c8-7(9,10)6(15)12-5-4(14)3(13)1-2-11-5/h3-5,11,13-14H,1-2H2,(H,12,15)/t3-,4+,5?/m1/s1
InChIKeyDYNLMXLJSJCJAB-OVEKKEMJSA-N
MW228.17 g/mol
LogP-1.29
Rot. Bonds1

About N-[(3R,4R)-3,4-dihydroxypiperidin-2-yl]-2,2,2-trifluoroacetamide

N-[(3R,4R)-3,4-dihydroxypiperidin-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 88945088) has the molecular formula C7H11F3N2O3 and a molecular weight of 228.17 g/mol. Its IUPAC name is N-[(3R,4R)-3,4-dihydroxypiperidin-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(3R,4R)-3,4-dihydroxypiperidin-2-yl]-2,2,2-trifluoroacetamide
PubChem CID88945088
Molecular FormulaC7H11F3N2O3
Molecular Weight228.17 g/mol
Exact Mass228.07
IUPAC NameN-[(3R,4R)-3,4-dihydroxypiperidin-2-yl]-2,2,2-trifluoroacetamide
SMILESO=C(NC1NCC[C@@H](O)[C@@H]1O)C(F)(F)F
InChIInChI=1S/C7H11F3N2O3/c8-7(9,10)6(15)12-5-4(14)3(13)1-2-11-5/h3-5,11,13-14H,1-2H2,(H,12,15)/t3-,4+,5?/m1/s1
InChIKeyDYNLMXLJSJCJAB-OVEKKEMJSA-N
XLogP-1.29
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 107224960
(2S)-2beta-(Trifluoroacetylamino)-5alpha-methylpiperidine-3alpha,4alpha-diol
CID 9837683
N-[3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide
CID 20757634
N-(3,4-dihydroxy-5-methylpiperidin-2-yl)-2,2,2-trifluoroacetamide
CID 23000885
N-[(2S,3S,4R,5R)-1,2,6-trifluoro-3,4-dihydroxy-5-methylpiperidin-2-yl]acetamide
CID 88046157
2,2,2-trifluoro-N-[(2R,3R,4S,5S)-3,4,5-trihydroxypiperidin-2-yl]acetamide
CID 139641829
N-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide
CID 9838026
N-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)piperidin-2-yl]-2,2,2-trifluoroacetamide
CID 9903259
2,2,2-trifluoro-N-[(2S,3S,4R,5R)-3,4,5-trihydroxypiperidin-2-yl]acetamide;hydrochloride
CID 10016544
2,2,2-trifluoro-N-[(2S,3S,4R,5R)-3,4,5-trihydroxypiperidin-2-yl]acetamide
CID 10016545
N-[(2R,3S,4R,5R)-3,4-dihydroxy-5-methylpiperidin-1-ium-2-yl]-2,2,2-trifluoroacetamide chloride
CID 10802588
2,2,2-trifluoro-N-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-yl]acetamide
CID 11778086

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3,4-dihydroxypiperidin-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(3R,4R)-3,4-dihydroxypiperidin-2-yl]-2,2,2-trifluoroacetamide (CID 88945088) is N-[(3R,4R)-3,4-dihydroxypiperidin-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(3R,4R)-3,4-dihydroxypiperidin-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(3R,4R)-3,4-dihydroxypiperidin-2-yl]-2,2,2-trifluoroacetamide is O=C(NC1NCC[C@@H](O)[C@@H]1O)C(F)(F)F.
What is the InChIKey of N-[(3R,4R)-3,4-dihydroxypiperidin-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is DYNLMXLJSJCJAB-OVEKKEMJSA-N. The full InChI is InChI=1S/C7H11F3N2O3/c8-7(9,10)6(15)12-5-4(14)3(13)1-2-11-5/h3-5,11,13-14H,1-2H2,(H,12,15)/t3-,4+,5?/m1/s1.
What are the key properties of N-[(3R,4R)-3,4-dihydroxypiperidin-2-yl]-2,2,2-trifluoroacetamide?
N-[(3R,4R)-3,4-dihydroxypiperidin-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 228.17 g/mol, XLogP of -1.29, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3,4-dihydroxypiperidin-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 88945088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).