1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine

C14H19F3N2O — CID 171179653

IUPAC1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine
SMILESCCOc1cccc([C@@H](N2CCNCC2)C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-2-20-12-5-3-4-11(10-12)13(14(15,16)17)19-8-6-18-7-9-19/h3-5,10,13,18H,2,6-9H2,1H3/t13-/m1/s1
InChIKeyOOGVRWKLMADFJX-CYBMUJFWSA-N
MW288.31 g/mol
LogP2.59
Rot. Bonds4

About 1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine

1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine (PubChem CID 171179653) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine
PubChem CID171179653
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine
SMILESCCOc1cccc([C@@H](N2CCNCC2)C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-2-20-12-5-3-4-11(10-12)13(14(15,16)17)19-8-6-18-7-9-19/h3-5,10,13,18H,2,6-9H2,1H3/t13-/m1/s1
InChIKeyOOGVRWKLMADFJX-CYBMUJFWSA-N
XLogP2.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1S)-1-(3-ethoxyphenyl)-4,4,4-trifluorobutyl]piperazine
CID 171164818
1-[(1S)-1-[3-(difluoromethoxy)phenyl]-2,2,2-trifluoroethyl]piperazine;dihydrochloride
CID 171290841
[3-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenyl] acetate;dihydrochloride
CID 171292852
1-[(1S)-2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]piperazine
CID 171177599
1-[(1S)-1-(3-ethoxyphenyl)butyl]piperazine
CID 171277911
(2R)-2-(3-ethoxyphenyl)-2-piperazin-1-ylethanol
CID 93471023
1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3289491
1-[(3-ethoxyphenyl)-(4-fluorophenyl)methyl]-1,4-diazepane
CID 4308636
1-[(3-ethoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4320420
1-[(S)-cyclopentyl-(3-ethoxyphenyl)methyl]piperazine
CID 171277901
1-[(3,4-dichlorophenyl)-(3-ethoxyphenyl)methyl]piperazine
CID 4037248
1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine
CID 171293821

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine (CID 171179653) is 1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine is CCOc1cccc([C@@H](N2CCNCC2)C(F)(F)F)c1.
What is the InChIKey of 1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine?
The InChIKey is OOGVRWKLMADFJX-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-2-20-12-5-3-4-11(10-12)13(14(15,16)17)19-8-6-18-7-9-19/h3-5,10,13,18H,2,6-9H2,1H3/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine?
1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine has a molecular weight of 288.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-ethoxyphenyl)-2,2,2-trifluoroethyl]piperazine is sourced from PubChem (CID 171179653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).