(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone

C14H17F3N2O — CID 2422199

IUPAC(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H17F3N2O/c1-2-18-7-9-19(10-8-18)13(20)11-3-5-12(6-4-11)14(15,16)17/h3-6H,2,7-10H2,1H3
InChIKeyPKBBFCXERWRCIM-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.48
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone

(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 2422199) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID2422199
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C14H17F3N2O/c1-2-18-7-9-19(10-8-18)13(20)11-3-5-12(6-4-11)14(15,16)17/h3-6H,2,7-10H2,1H3
InChIKeyPKBBFCXERWRCIM-UHFFFAOYSA-N
XLogP2.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 55433059
[4-(2-chloroethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 63395121
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
[4-(3-hydroxypropyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110898053
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113073703
[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348
(4-aminophenyl)-(4-ethylpiperazin-1-yl)methanone;dihydrochloride
CID 119826621
[4-(4-ethylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113075921
[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 71783092
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55361222
thiomorpholin-4-yl-[4-(trifluoromethyl)phenyl]methanone
CID 146080386
2-(4-ethylpiperazin-1-yl)-2-oxo-N-[4-(trifluoromethyl)phenyl]acetamide
CID 87039943

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 2422199) is (4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone is CCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is PKBBFCXERWRCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-2-18-7-9-19(10-8-18)13(20)11-3-5-12(6-4-11)14(15,16)17/h3-6H,2,7-10H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
(4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 286.30 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 2422199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).