[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-morpholin-4-ylmethanone

C13H22F3N3O2 — CID 75518477

IUPAC[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCC1(C)CN(CC(F)(F)F)CCN1C(=O)N1CCOCC1
InChIInChI=1S/C13H22F3N3O2/c1-12(2)9-17(10-13(14,15)16)3-4-19(12)11(20)18-5-7-21-8-6-18/h3-10H2,1-2H3
InChIKeyDGEQBAHUQMVKCM-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.40
Rot. Bonds1

About [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-morpholin-4-ylmethanone

[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-morpholin-4-ylmethanone (PubChem CID 75518477) has the molecular formula C13H22F3N3O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-morpholin-4-ylmethanone
PubChem CID75518477
Molecular FormulaC13H22F3N3O2
Molecular Weight309.33 g/mol
Exact Mass309.17
IUPAC Name[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-morpholin-4-ylmethanone
SMILESCC1(C)CN(CC(F)(F)F)CCN1C(=O)N1CCOCC1
InChIInChI=1S/C13H22F3N3O2/c1-12(2)9-17(10-13(14,15)16)3-4-19(12)11(20)18-5-7-21-8-6-18/h3-10H2,1-2H3
InChIKeyDGEQBAHUQMVKCM-UHFFFAOYSA-N
XLogP1.40
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-morpholin-4-ylmethanone (CID 75518477) is [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-morpholin-4-ylmethanone is CC1(C)CN(CC(F)(F)F)CCN1C(=O)N1CCOCC1.
What is the InChIKey of [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is DGEQBAHUQMVKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O2/c1-12(2)9-17(10-13(14,15)16)3-4-19(12)11(20)18-5-7-21-8-6-18/h3-10H2,1-2H3.
What are the key properties of [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-morpholin-4-ylmethanone?
[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 309.33 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 75518477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).