N-(1-tert-butyl-4-hydroxypiperidin-3-yl)-2,2,2-trifluoroacetamide

C11H19F3N2O2 — CID 87717741

IUPACN-(1-tert-butyl-4-hydroxypiperidin-3-yl)-2,2,2-trifluoroacetamide
SMILESCC(C)(C)N1CCC(O)C(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)16-5-4-8(17)7(6-16)15-9(18)11(12,13)14/h7-8,17H,4-6H2,1-3H3,(H,15,18)
InChIKeySVTLPOHUEVQKMG-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.90
Rot. Bonds1

About N-(1-tert-butyl-4-hydroxypiperidin-3-yl)-2,2,2-trifluoroacetamide

N-(1-tert-butyl-4-hydroxypiperidin-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 87717741) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(1-tert-butyl-4-hydroxypiperidin-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-tert-butyl-4-hydroxypiperidin-3-yl)-2,2,2-trifluoroacetamide
PubChem CID87717741
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-(1-tert-butyl-4-hydroxypiperidin-3-yl)-2,2,2-trifluoroacetamide
SMILESCC(C)(C)N1CCC(O)C(NC(=O)C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-10(2,3)16-5-4-8(17)7(6-16)15-9(18)11(12,13)14/h7-8,17H,4-6H2,1-3H3,(H,15,18)
InChIKeySVTLPOHUEVQKMG-UHFFFAOYSA-N
XLogP0.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-4-hydroxypiperidin-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-tert-butyl-4-hydroxypiperidin-3-yl)-2,2,2-trifluoroacetamide (CID 87717741) is N-(1-tert-butyl-4-hydroxypiperidin-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-tert-butyl-4-hydroxypiperidin-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-tert-butyl-4-hydroxypiperidin-3-yl)-2,2,2-trifluoroacetamide is CC(C)(C)N1CCC(O)C(NC(=O)C(F)(F)F)C1.
What is the InChIKey of N-(1-tert-butyl-4-hydroxypiperidin-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is SVTLPOHUEVQKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(2,3)16-5-4-8(17)7(6-16)15-9(18)11(12,13)14/h7-8,17H,4-6H2,1-3H3,(H,15,18).
What are the key properties of N-(1-tert-butyl-4-hydroxypiperidin-3-yl)-2,2,2-trifluoroacetamide?
N-(1-tert-butyl-4-hydroxypiperidin-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 268.28 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-4-hydroxypiperidin-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87717741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).