(2-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C19H19F3N2O2 — CID 1001404

IUPAC(2-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H19F3N2O2/c1-26-17-8-3-2-7-16(17)18(25)24-11-9-23(10-12-24)15-6-4-5-14(13-15)19(20,21)22/h2-8,13H,9-12H2,1H3
InChIKeyVZNUYBGBXAXVKX-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.68
Rot. Bonds3

About (2-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

(2-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 1001404) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is (2-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID1001404
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name(2-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H19F3N2O2/c1-26-17-8-3-2-7-16(17)18(25)24-11-9-23(10-12-24)15-6-4-5-14(13-15)19(20,21)22/h2-8,13H,9-12H2,1H3
InChIKeyVZNUYBGBXAXVKX-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 1001404) is (2-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is COc1ccccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (2-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is VZNUYBGBXAXVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c1-26-17-8-3-2-7-16(17)18(25)24-11-9-23(10-12-24)15-6-4-5-14(13-15)19(20,21)22/h2-8,13H,9-12H2,1H3.
What are the key properties of (2-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
(2-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 364.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 1001404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).