2,2-diphenyl-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid

C20H21F3N2O3 — CID 45074775

IUPAC2,2-diphenyl-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H20N2O.C2HF3O2/c21-18(20-13-11-19-12-14-20)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16;3-2(4,5)1(6)7/h1-10,17,19H,11-14H2;(H,6,7)
InChIKeyXTLPASSNHDZTMV-UHFFFAOYSA-N
MW394.39 g/mol
LogP2.88
Rot. Bonds3

About 2,2-diphenyl-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid

2,2-diphenyl-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid (PubChem CID 45074775) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2,2-diphenyl-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2,2-diphenyl-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
PubChem CID45074775
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name2,2-diphenyl-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H20N2O.C2HF3O2/c21-18(20-13-11-19-12-14-20)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16;3-2(4,5)1(6)7/h1-10,17,19H,11-14H2;(H,6,7)
InChIKeyXTLPASSNHDZTMV-UHFFFAOYSA-N
XLogP2.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2,2-diphenyl-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid (CID 45074775) is 2,2-diphenyl-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2,2-diphenyl-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2,2-diphenyl-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid is O=C(C(c1ccccc1)c1ccccc1)N1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2-diphenyl-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid?
The InChIKey is XTLPASSNHDZTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O.C2HF3O2/c21-18(20-13-11-19-12-14-20)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16;3-2(4,5)1(6)7/h1-10,17,19H,11-14H2;(H,6,7).
What are the key properties of 2,2-diphenyl-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid?
2,2-diphenyl-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid has a molecular weight of 394.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 45074775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).