[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C19H19F3N2O — CID 589575

IUPAC[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H19F3N2O/c1-14-4-2-3-5-17(14)23-10-12-24(13-11-23)18(25)15-6-8-16(9-7-15)19(20,21)22/h2-9H,10-13H2,1H3
InChIKeyBRBWYLGLMVYOAK-UHFFFAOYSA-N
MW348.37 g/mol
LogP3.98
Rot. Bonds2

About [4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 589575) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is [4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID589575
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1ccccc1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C19H19F3N2O/c1-14-4-2-3-5-17(14)23-10-12-24(13-11-23)18(25)15-6-8-16(9-7-15)19(20,21)22/h2-9H,10-13H2,1H3
InChIKeyBRBWYLGLMVYOAK-UHFFFAOYSA-N
XLogP3.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 40676851
(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 31113066
(3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 9151566
[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108741320
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
[4-(2-methylphenyl)piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 18147919
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
[4-(2-methylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 18111082
[4-(4-bromobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 108534348
[4-(4-hydroxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 8779377
[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 47024563
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 589575) is [4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is Cc1ccccc1N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of [4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is BRBWYLGLMVYOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-14-4-2-3-5-17(14)23-10-12-24(13-11-23)18(25)15-6-8-16(9-7-15)19(20,21)22/h2-9H,10-13H2,1H3.
What are the key properties of [4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 348.37 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 589575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).