2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl acetate

C16H21F3N2O2 — CID 141403247

IUPAC2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2O2/c1-13(22)23-11-10-20-6-8-21(9-7-20)12-14-4-2-3-5-15(14)16(17,18)19/h2-5H,6-12H2,1H3
InChIKeyWZKPVJYEUGOYDB-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.39
Rot. Bonds5

About 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl acetate

2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl acetate (PubChem CID 141403247) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl acetate.

Molecular Properties

Compound Name2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl acetate
PubChem CID141403247
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl acetate
SMILESCC(=O)OCCN1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H21F3N2O2/c1-13(22)23-11-10-20-6-8-21(9-7-20)12-14-4-2-3-5-15(14)16(17,18)19/h2-5H,6-12H2,1H3
InChIKeyWZKPVJYEUGOYDB-UHFFFAOYSA-N
XLogP2.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(4-benzylpiperazin-1-yl)acetate
CID 5060109
Ethyl 1-[2-(trifluoromethyl)benzyl]-2-piperidinecarboxylate
CID 3246748
Ethyl 1-(2-methylbenzyl)-4-piperidinecarboxylate
CID 764682
1-Piperazineacetic acid, 4-(diphenylmethyl)-, ethyl ester
CID 3045046
Ethyl 1-[2-(trifluoromethyl)benzyl]-4-piperidinecarboxylate
CID 764638
4-((2-Methylphenyl)methyl)morpholine
CID 782962
Ethanol, 2-(bis(phenylmethyl)amino)-, 1-acetate
CID 88097
1-(Trifluoromethyl)-2-(morpholinomethyl)benzene
CID 782689
Isoquinolinium, 1,2,3,4-tetrahydro-2-(2-ethoxy-2-oxoethyl)-2-methyl-, iodide
CID 3075741
3-{2-[4-(2-Methylbenzyl)-1-piperazinyl]-2-oxoethyl}-1,3-oxazolidin-2-one
CID 70770021
1-[4-[[2-(Trifluoromethyl)phenyl]methyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 118739445
1-Benzyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperazine
CID 10957151

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl acetate?
The IUPAC name of 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl acetate (CID 141403247) is 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl acetate.
What is the SMILES notation for 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl acetate?
The canonical SMILES for 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl acetate is CC(=O)OCCN1CCN(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl acetate?
The InChIKey is WZKPVJYEUGOYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-13(22)23-11-10-20-6-8-21(9-7-20)12-14-4-2-3-5-15(14)16(17,18)19/h2-5H,6-12H2,1H3.
What are the key properties of 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl acetate?
2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl acetate has a molecular weight of 330.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl acetate is sourced from PubChem (CID 141403247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).