N-(3,4-dihydroxy-5-methylpiperidin-2-yl)-2,2,2-trifluoroacetamide

C8H13F3N2O3 — CID 23000885

IUPACN-(3,4-dihydroxy-5-methylpiperidin-2-yl)-2,2,2-trifluoroacetamide
SMILESCC1CNC(NC(=O)C(F)(F)F)C(O)C1O
InChIInChI=1S/C8H13F3N2O3/c1-3-2-12-6(5(15)4(3)14)13-7(16)8(9,10)11/h3-6,12,14-15H,2H2,1H3,(H,13,16)
InChIKeyRMHWFYGHKUFLAI-UHFFFAOYSA-N
MW242.20 g/mol
LogP-1.05
Rot. Bonds1

About N-(3,4-dihydroxy-5-methylpiperidin-2-yl)-2,2,2-trifluoroacetamide

N-(3,4-dihydroxy-5-methylpiperidin-2-yl)-2,2,2-trifluoroacetamide (PubChem CID 23000885) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is N-(3,4-dihydroxy-5-methylpiperidin-2-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3,4-dihydroxy-5-methylpiperidin-2-yl)-2,2,2-trifluoroacetamide
PubChem CID23000885
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC NameN-(3,4-dihydroxy-5-methylpiperidin-2-yl)-2,2,2-trifluoroacetamide
SMILESCC1CNC(NC(=O)C(F)(F)F)C(O)C1O
InChIInChI=1S/C8H13F3N2O3/c1-3-2-12-6(5(15)4(3)14)13-7(16)8(9,10)11/h3-6,12,14-15H,2H2,1H3,(H,13,16)
InChIKeyRMHWFYGHKUFLAI-UHFFFAOYSA-N
XLogP-1.05
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroxy-5-methylpiperidin-2-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3,4-dihydroxy-5-methylpiperidin-2-yl)-2,2,2-trifluoroacetamide (CID 23000885) is N-(3,4-dihydroxy-5-methylpiperidin-2-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3,4-dihydroxy-5-methylpiperidin-2-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3,4-dihydroxy-5-methylpiperidin-2-yl)-2,2,2-trifluoroacetamide is CC1CNC(NC(=O)C(F)(F)F)C(O)C1O.
What is the InChIKey of N-(3,4-dihydroxy-5-methylpiperidin-2-yl)-2,2,2-trifluoroacetamide?
The InChIKey is RMHWFYGHKUFLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-3-2-12-6(5(15)4(3)14)13-7(16)8(9,10)11/h3-6,12,14-15H,2H2,1H3,(H,13,16).
What are the key properties of N-(3,4-dihydroxy-5-methylpiperidin-2-yl)-2,2,2-trifluoroacetamide?
N-(3,4-dihydroxy-5-methylpiperidin-2-yl)-2,2,2-trifluoroacetamide has a molecular weight of 242.20 g/mol, XLogP of -1.05, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroxy-5-methylpiperidin-2-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 23000885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).