1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

C14H23F3N2O3 — CID 86995161

IUPAC1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C14H23F3N2O3/c15-14(16,17)11-22-10-13(20)19-3-1-12(2-4-19)9-18-5-7-21-8-6-18/h12H,1-11H2
InChIKeyTYKOWOGLOXGXOA-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.14
Rot. Bonds5

About 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone

1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 86995161) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID86995161
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC Name1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C14H23F3N2O3/c15-14(16,17)11-22-10-13(20)19-3-1-12(2-4-19)9-18-5-7-21-8-6-18/h12H,1-11H2
InChIKeyTYKOWOGLOXGXOA-UHFFFAOYSA-N
XLogP1.14
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone (CID 86995161) is 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is TYKOWOGLOXGXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O3/c15-14(16,17)11-22-10-13(20)19-3-1-12(2-4-19)9-18-5-7-21-8-6-18/h12H,1-11H2.
What are the key properties of 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone?
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 324.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 86995161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).