1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one

C16H21F3N2O2 — CID 82262863

IUPAC1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one
SMILESCCOc1ccc(C(F)(F)F)cc1C(=O)CCN1CCNCC1
InChIInChI=1S/C16H21F3N2O2/c1-2-23-15-4-3-12(16(17,18)19)11-13(15)14(22)5-8-21-9-6-20-7-10-21/h3-4,11,20H,2,5-10H2,1H3
InChIKeySGBJPWYSWZKCMB-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.58
Rot. Bonds6

About 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one

1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one (PubChem CID 82262863) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one
PubChem CID82262863
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one
SMILESCCOc1ccc(C(F)(F)F)cc1C(=O)CCN1CCNCC1
InChIInChI=1S/C16H21F3N2O2/c1-2-23-15-4-3-12(16(17,18)19)11-13(15)14(22)5-8-21-9-6-20-7-10-21/h3-4,11,20H,2,5-10H2,1H3
InChIKeySGBJPWYSWZKCMB-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,4-diazepan-1-yl)-1-(2-ethoxy-5-methylphenyl)propan-1-one
CID 82136479
1-(4-ethoxynaphthalen-1-yl)-3-piperazin-1-ylpropan-1-one
CID 82263185
1-(3-amino-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064900
1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266393
1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82051123
1-(2-chloro-4-ethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82267623
4-oxo-4-[2-propoxy-5-(trifluoromethyl)phenyl]butanoic acid
CID 82262879
3-(1,4-diazepan-1-yl)-1-(2,5-dimethoxyphenyl)propan-1-one
CID 82064893
1-(2-ethoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 58514237
1-(2-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064831
1-(5-chloro-2,4-dimethoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82268072
1-(2-methyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264527

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one (CID 82262863) is 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one is CCOc1ccc(C(F)(F)F)cc1C(=O)CCN1CCNCC1.
What is the InChIKey of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one?
The InChIKey is SGBJPWYSWZKCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-2-23-15-4-3-12(16(17,18)19)11-13(15)14(22)5-8-21-9-6-20-7-10-21/h3-4,11,20H,2,5-10H2,1H3.
What are the key properties of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one?
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one has a molecular weight of 330.35 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 82262863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).