[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone

C19H19F3N2O2 — CID 113077553

IUPAC[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
SMILESCOc1ccc(C)cc1N1CCN(C(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C19H19F3N2O2/c1-12-3-6-16(26-2)15(11-12)23-7-9-24(10-8-23)19(25)13-4-5-14(20)18(22)17(13)21/h3-6,11H,7-10H2,1-2H3
InChIKeyRYHBSYBHIMHIIL-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.38
Rot. Bonds3

About [4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone

[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone (PubChem CID 113077553) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is [4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
PubChem CID113077553
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
SMILESCOc1ccc(C)cc1N1CCN(C(=O)c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C19H19F3N2O2/c1-12-3-6-16(26-2)15(11-12)23-7-9-24(10-8-23)19(25)13-4-5-14(20)18(22)17(13)21/h3-6,11H,7-10H2,1-2H3
InChIKeyRYHBSYBHIMHIIL-UHFFFAOYSA-N
XLogP3.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze [4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone 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

[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110363823
(2-chlorophenyl)-[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]methanone
CID 113077542
(5-chloro-2-methoxyphenyl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 71822598
[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113077801
(2-fluorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 33466313
[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108569889
4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111363
(4-chlorophenyl)-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110802853
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110399002
(2-chloro-4-fluorophenyl)-[4-(2-methoxy-5-sulfanylphenyl)piperazin-1-yl]methanone
CID 171513519
N-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113209
N-(3-fluorophenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113817

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of [4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone (CID 113077553) is [4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for [4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for [4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone is COc1ccc(C)cc1N1CCN(C(=O)c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of [4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone?
The InChIKey is RYHBSYBHIMHIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-12-3-6-16(26-2)15(11-12)23-7-9-24(10-8-23)19(25)13-4-5-14(20)18(22)17(13)21/h3-6,11H,7-10H2,1-2H3.
What are the key properties of [4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone?
[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone has a molecular weight of 364.37 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 113077553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).