1-[4-[4-ethyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone

C19H26F3N3O2 — CID 70672221

IUPAC1-[4-[4-ethyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCCc1ccc(N2CCN(C(=O)CN3CCOCC3)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C19H26F3N3O2/c1-2-15-3-4-17(16(13-15)19(20,21)22)24-5-7-25(8-6-24)18(26)14-23-9-11-27-12-10-23/h3-4,13H,2,5-12,14H2,1H3
InChIKeyURVYIKNNSKWJBN-UHFFFAOYSA-N
MW385.43 g/mol
LogP2.25
Rot. Bonds4

About 1-[4-[4-ethyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-[4-ethyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 70672221) has the molecular formula C19H26F3N3O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 1-[4-[4-ethyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[4-ethyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID70672221
Molecular FormulaC19H26F3N3O2
Molecular Weight385.43 g/mol
Exact Mass385.20
IUPAC Name1-[4-[4-ethyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCCc1ccc(N2CCN(C(=O)CN3CCOCC3)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C19H26F3N3O2/c1-2-15-3-4-17(16(13-15)19(20,21)22)24-5-7-25(8-6-24)18(26)14-23-9-11-27-12-10-23/h3-4,13H,2,5-12,14H2,1H3
InChIKeyURVYIKNNSKWJBN-UHFFFAOYSA-N
XLogP2.25
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine
CID 70672464
4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine
CID 157042080
1-[4-(4-ethylpyridine-2-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 138998600
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688048
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
2-[4-[4-acetyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
CID 57442657
1-(azepan-1-yl)-2-[4-[4-nitro-2-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 55987366
N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 86916143
2-morpholin-4-yl-1-[4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazin-1-yl]ethanone
CID 91651791
tert-butyl 4-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]piperazine-1-carboxylate
CID 166604259
[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
CID 79016220
4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide
CID 146425073

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-ethyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[4-ethyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone (CID 70672221) is 1-[4-[4-ethyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[4-ethyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[4-ethyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone is CCc1ccc(N2CCN(C(=O)CN3CCOCC3)CC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-[4-ethyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is URVYIKNNSKWJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O2/c1-2-15-3-4-17(16(13-15)19(20,21)22)24-5-7-25(8-6-24)18(26)14-23-9-11-27-12-10-23/h3-4,13H,2,5-12,14H2,1H3.
What are the key properties of 1-[4-[4-ethyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[4-ethyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 385.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-ethyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 70672221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).