1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one

C17H23F3N2O3 — CID 47031332

IUPAC1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCCOc1ccccc1N1CCN(C(=O)C(C)OCC(F)(F)F)CC1
InChIInChI=1S/C17H23F3N2O3/c1-3-24-15-7-5-4-6-14(15)21-8-10-22(11-9-21)16(23)13(2)25-12-17(18,19)20/h4-7,13H,3,8-12H2,1-2H3
InChIKeyZZELQDUIRNKSGS-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.70
Rot. Bonds6

About 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one

1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 47031332) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID47031332
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC Name1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCCOc1ccccc1N1CCN(C(=O)C(C)OCC(F)(F)F)CC1
InChIInChI=1S/C17H23F3N2O3/c1-3-24-15-7-5-4-6-14(15)21-8-10-22(11-9-21)16(23)13(2)25-12-17(18,19)20/h4-7,13H,3,8-12H2,1-2H3
InChIKeyZZELQDUIRNKSGS-UHFFFAOYSA-N
XLogP2.70
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 86925847
(2R)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-methylsulfonylpropan-1-one
CID 95133049
[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 3313073
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 8691494
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9430320
N-[(2S,3S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 7613117
(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 40783173
1-butyl-3-[1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]urea
CID 42696645
N-[(2S)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-fluorobenzenesulfonamide
CID 24538543
[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
(2R)-1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethoxy)propan-1-one
CID 51943619
2-(dimethylamino)-1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 131907631

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one (CID 47031332) is 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one is CCOc1ccccc1N1CCN(C(=O)C(C)OCC(F)(F)F)CC1.
What is the InChIKey of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is ZZELQDUIRNKSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-3-24-15-7-5-4-6-14(15)21-8-10-22(11-9-21)16(23)13(2)25-12-17(18,19)20/h4-7,13H,3,8-12H2,1-2H3.
What are the key properties of 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one?
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 360.38 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 47031332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).