(4-benzylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone

C19H19F3N2O — CID 562719

IUPAC(4-benzylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)17-8-6-16(7-9-17)18(25)24-12-10-23(11-13-24)14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyZUFIAWGOGKUSBA-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.66
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone

(4-benzylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 562719) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID562719
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name(4-benzylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H19F3N2O/c20-19(21,22)17-8-6-16(7-9-17)18(25)24-12-10-23(11-13-24)14-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyZUFIAWGOGKUSBA-UHFFFAOYSA-N
XLogP3.66
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-benzylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone 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 (4-benzylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 562719) is (4-benzylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is ZUFIAWGOGKUSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c20-19(21,22)17-8-6-16(7-9-17)18(25)24-12-10-23(11-13-24)14-15-4-2-1-3-5-15/h1-9H,10-14H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
(4-benzylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 348.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 562719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).