1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine

C17H25F3N2O3 — CID 23540082

IUPAC1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCOc1ccc(N2CCN(CCOC)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H25F3N2O3/c1-23-10-9-21-5-7-22(8-6-21)16-4-3-14(25-12-11-24-2)13-15(16)17(18,19)20/h3-4,13H,5-12H2,1-2H3
InChIKeyRPZMBRVHSDHHNF-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.50
Rot. Bonds8

About 1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine

1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine (PubChem CID 23540082) has the molecular formula C17H25F3N2O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine
PubChem CID23540082
Molecular FormulaC17H25F3N2O3
Molecular Weight362.39 g/mol
Exact Mass362.18
IUPAC Name1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine
SMILESCOCCOc1ccc(N2CCN(CCOC)CC2)c(C(F)(F)F)c1
InChIInChI=1S/C17H25F3N2O3/c1-23-10-9-21-5-7-22(8-6-21)16-4-3-14(25-12-11-24-2)13-15(16)17(18,19)20/h3-4,13H,5-12H2,1-2H3
InChIKeyRPZMBRVHSDHHNF-UHFFFAOYSA-N
XLogP2.50
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-propoxy-2-(trifluoromethyl)phenyl]-4-propylpiperazine
CID 20770576
4-[4-(2-methoxyethyl)piperazin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 133328094
2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 23540092
4-(2-methoxyethoxy)-1-methyl-2-(trifluoromethyl)benzene
CID 20785482
4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid
CID 62701897
4-[4-(2-ethoxyethyl)piperazin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 133328095
4-[4-[4-(3-piperidin-1-ylpropoxy)-2-(trifluoromethyl)phenyl]piperazine-1-carbonyl]benzonitrile
CID 59250212
1-(2-methoxyethyl)-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133369766
1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine
CID 143046254
4-[4-(2-methoxyethyl)piperazin-1-yl]-3-methylaniline
CID 66617388
[4-[2-(2-methoxyethoxy)ethoxy]-2-(trifluoromethyl)phenyl]methanamine
CID 104559827
5-bromo-2-[4-(2-methoxyethyl)piperazin-1-yl]aniline
CID 117013659

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine?
The IUPAC name of 1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine (CID 23540082) is 1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine is COCCOc1ccc(N2CCN(CCOC)CC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine?
The InChIKey is RPZMBRVHSDHHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O3/c1-23-10-9-21-5-7-22(8-6-21)16-4-3-14(25-12-11-24-2)13-15(16)17(18,19)20/h3-4,13H,5-12H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine?
1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine has a molecular weight of 362.39 g/mol, XLogP of 2.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine is sourced from PubChem (CID 23540082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).