[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone

C19H19F3N2O3 — CID 110363823

IUPAC[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)cc1OC
InChIInChI=1S/C19H19F3N2O3/c1-26-15-6-3-12(11-16(15)27-2)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
InChIKeyJBPHFXGCVOSRJV-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.08
Rot. Bonds4

About [4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone

[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone (PubChem CID 110363823) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is [4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
PubChem CID110363823
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)cc1OC
InChIInChI=1S/C19H19F3N2O3/c1-26-15-6-3-12(11-16(15)27-2)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
InChIKeyJBPHFXGCVOSRJV-UHFFFAOYSA-N
XLogP3.08
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.08
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': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[4-(2-methoxy-5-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 113077553
[4-(4-bromophenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 113077273
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 113076928
[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 113078760
4-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]benzonitrile
CID 113081066
1-[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 2524336
[4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108569889
1-[4-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]phenyl]ethanone
CID 32754911
(3,4-dichlorophenyl)-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methanone
CID 113077951
[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110399002
2-chloro-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 4740944
(3,4-dimethoxyphenyl)-[4-(3,4-dimethylphenyl)piperazin-1-yl]methanone
CID 991613

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of [4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone (CID 110363823) is [4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for [4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for [4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone is COc1ccc(N2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)cc1OC.
What is the InChIKey of [4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone?
The InChIKey is JBPHFXGCVOSRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-26-15-6-3-12(11-16(15)27-2)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-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone?
[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone has a molecular weight of 380.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 110363823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).