1-morpholin-4-yl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone

C18H24F3N3O2 — CID 3697680

IUPAC1-morpholin-4-yl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)N1CCOCC1
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)16-3-1-15(2-4-16)13-22-5-7-23(8-6-22)14-17(25)24-9-11-26-12-10-24/h1-4H,5-14H2
InChIKeyGBHWXTRYHGPZMI-UHFFFAOYSA-N
MW371.40 g/mol
LogP1.68
Rot. Bonds4

About 1-morpholin-4-yl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone

1-morpholin-4-yl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone (PubChem CID 3697680) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
PubChem CID3697680
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name1-morpholin-4-yl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)N1CCOCC1
InChIInChI=1S/C18H24F3N3O2/c19-18(20,21)16-3-1-15(2-4-16)13-22-5-7-23(8-6-22)14-17(25)24-9-11-26-12-10-24/h1-4H,5-14H2
InChIKeyGBHWXTRYHGPZMI-UHFFFAOYSA-N
XLogP1.68
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone (CID 3697680) is 1-morpholin-4-yl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone is O=C(CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is GBHWXTRYHGPZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c19-18(20,21)16-3-1-15(2-4-16)13-22-5-7-23(8-6-22)14-17(25)24-9-11-26-12-10-24/h1-4H,5-14H2.
What are the key properties of 1-morpholin-4-yl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone?
1-morpholin-4-yl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 371.40 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 3697680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).