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

C19H19F3N2O2 — CID 120734460

IUPAC[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O2/c1-26-17-5-3-2-4-15(17)16-12-23-10-11-24(16)18(25)13-6-8-14(9-7-13)19(20,21)22/h2-9,16,23H,10-12H2,1H3
InChIKeyURBYODPSGJLNBD-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.50
Rot. Bonds3

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

[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 120734460) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID120734460
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H19F3N2O2/c1-26-17-5-3-2-4-15(17)16-12-23-10-11-24(16)18(25)13-6-8-14(9-7-13)19(20,21)22/h2-9,16,23H,10-12H2,1H3
InChIKeyURBYODPSGJLNBD-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
[4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 120733655
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 120734013
5-[2-(2-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 136575807
N,N-diethyl-4-[2-(2-methoxyphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120733486
(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733355
[4-(cyclopropylmethoxy)phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120733542
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(1,2,4-triazol-1-yl)phenyl]methanone
CID 120734009
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780
(5-bromothiophen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734960
[4-[[ethyl(propan-2-yl)amino]methyl]phenyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120732723

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 120734460) is [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is COc1ccccc1C1CNCCN1C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is URBYODPSGJLNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-26-17-5-3-2-4-15(17)16-12-23-10-11-24(16)18(25)13-6-8-14(9-7-13)19(20,21)22/h2-9,16,23H,10-12H2,1H3.
What are the key properties of [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 364.37 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 120734460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).