1-benzyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperazine

C14H19F3N2O — CID 10957151

IUPAC1-benzyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperazine
SMILESCOC(N1CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-20-13(14(15,16)17)19-9-7-18(8-10-19)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyBTGSQPMAKWCAQV-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.34
Rot. Bonds4

About 1-benzyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperazine

1-benzyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperazine (PubChem CID 10957151) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-benzyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperazine
PubChem CID10957151
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name1-benzyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperazine
SMILESCOC(N1CCN(Cc2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C14H19F3N2O/c1-20-13(14(15,16)17)19-9-7-18(8-10-19)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3
InChIKeyBTGSQPMAKWCAQV-UHFFFAOYSA-N
XLogP2.34
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperazine?
The IUPAC name of 1-benzyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperazine (CID 10957151) is 1-benzyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperazine?
The canonical SMILES for 1-benzyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperazine is COC(N1CCN(Cc2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of 1-benzyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperazine?
The InChIKey is BTGSQPMAKWCAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-20-13(14(15,16)17)19-9-7-18(8-10-19)11-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3.
What are the key properties of 1-benzyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperazine?
1-benzyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperazine has a molecular weight of 288.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(2,2,2-trifluoro-1-methoxyethyl)piperazine is sourced from PubChem (CID 10957151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).