1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-methylpiperazine

C15H21F3N2O2 — CID 21363810

IUPAC1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-methylpiperazine
SMILESCOCCOc1ccc(N2CCN(C)CC2)cc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O2/c1-19-5-7-20(8-6-19)12-3-4-14(22-10-9-21-2)13(11-12)15(16,17)18/h3-4,11H,5-10H2,1-2H3
InChIKeyBNKNMRUPBCTZLN-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.48
Rot. Bonds5

About 1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-methylpiperazine

1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-methylpiperazine (PubChem CID 21363810) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-methylpiperazine
PubChem CID21363810
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-methylpiperazine
SMILESCOCCOc1ccc(N2CCN(C)CC2)cc1C(F)(F)F
InChIInChI=1S/C15H21F3N2O2/c1-19-5-7-20(8-6-19)12-3-4-14(22-10-9-21-2)13(11-12)15(16,17)18/h3-4,11H,5-10H2,1-2H3
InChIKeyBNKNMRUPBCTZLN-UHFFFAOYSA-N
XLogP2.48
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-methylpiperazine?
The IUPAC name of 1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-methylpiperazine (CID 21363810) is 1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-methylpiperazine is COCCOc1ccc(N2CCN(C)CC2)cc1C(F)(F)F.
What is the InChIKey of 1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-methylpiperazine?
The InChIKey is BNKNMRUPBCTZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-19-5-7-20(8-6-19)12-3-4-14(22-10-9-21-2)13(11-12)15(16,17)18/h3-4,11H,5-10H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-methylpiperazine?
1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-methylpiperazine has a molecular weight of 318.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-methylpiperazine is sourced from PubChem (CID 21363810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).