N-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide

C11H19F3N2O2 — CID 138612292

IUPACN-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
SMILESCCN1CCC(C(O)CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-2-16-5-3-8(4-6-16)9(17)7-15-10(18)11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18)
InChIKeyDHJAUVZLGFXKQJ-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.76
Rot. Bonds4

About N-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide

N-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide (PubChem CID 138612292) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
PubChem CID138612292
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide
SMILESCCN1CCC(C(O)CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c1-2-16-5-3-8(4-6-16)9(17)7-15-10(18)11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18)
InChIKeyDHJAUVZLGFXKQJ-UHFFFAOYSA-N
XLogP0.76
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide (CID 138612292) is N-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide is CCN1CCC(C(O)CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide?
The InChIKey is DHJAUVZLGFXKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-2-16-5-3-8(4-6-16)9(17)7-15-10(18)11(12,13)14/h8-9,17H,2-7H2,1H3,(H,15,18).
What are the key properties of N-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide?
N-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide has a molecular weight of 268.28 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylpiperidin-4-yl)-2-hydroxyethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 138612292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).