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

C19H20F3N3O — CID 113078760

IUPAC[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
SMILESCN(C)c1ccc(N2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)cc1
InChIInChI=1S/C19H20F3N3O/c1-23(2)13-3-5-14(6-4-13)24-9-11-25(12-10-24)19(26)15-7-8-16(20)18(22)17(15)21/h3-8H,9-12H2,1-2H3
InChIKeyMAFWEMZFZYHDNC-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.13
Rot. Bonds3

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

[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone (PubChem CID 113078760) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is [4-[4-(dimethylamino)phenyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
PubChem CID113078760
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC Name[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
SMILESCN(C)c1ccc(N2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)cc1
InChIInChI=1S/C19H20F3N3O/c1-23(2)13-3-5-14(6-4-13)24-9-11-25(12-10-24)19(26)15-7-8-16(20)18(22)17(15)21/h3-8H,9-12H2,1-2H3
InChIKeyMAFWEMZFZYHDNC-UHFFFAOYSA-N
XLogP3.13
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[4-(4-bromophenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 113077273
4-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]benzonitrile
CID 113081066
[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110363823
(2-chloro-6-fluorophenyl)-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 113078755
4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 155453460
[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 113078761
4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112737
(3,4-dihydroxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 106671138
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 113073702
[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110710921
piperazin-1-yl-(2,3,4-trifluorophenyl)methanone;hydrochloride
CID 119401952
[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 113076018

Frequently Asked Questions

What is the IUPAC name of [4-[4-(dimethylamino)phenyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of [4-[4-(dimethylamino)phenyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone (CID 113078760) is [4-[4-(dimethylamino)phenyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for [4-[4-(dimethylamino)phenyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for [4-[4-(dimethylamino)phenyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone is CN(C)c1ccc(N2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)cc1.
What is the InChIKey of [4-[4-(dimethylamino)phenyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone?
The InChIKey is MAFWEMZFZYHDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-23(2)13-3-5-14(6-4-13)24-9-11-25(12-10-24)19(26)15-7-8-16(20)18(22)17(15)21/h3-8H,9-12H2,1-2H3.
What are the key properties of [4-[4-(dimethylamino)phenyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone?
[4-[4-(dimethylamino)phenyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone has a molecular weight of 363.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(dimethylamino)phenyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 113078760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).