2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid

C18H19F3N2O4 — CID 24792335

IUPAC2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
SMILESO=C(COc1ccc2ccccc2c1)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H18N2O2.C2HF3O2/c19-16(18-9-7-17-8-10-18)12-20-15-6-5-13-3-1-2-4-14(13)11-15;3-2(4,5)1(6)7/h1-6,11,17H,7-10,12H2;(H,6,7)
InChIKeyKNYVVQVDSBFQFM-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.28
Rot. Bonds3

About 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid

2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid (PubChem CID 24792335) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
PubChem CID24792335
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC Name2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid
SMILESO=C(COc1ccc2ccccc2c1)N1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H18N2O2.C2HF3O2/c19-16(18-9-7-17-8-10-18)12-20-15-6-5-13-3-1-2-4-14(13)11-15;3-2(4,5)1(6)7/h1-6,11,17H,7-10,12H2;(H,6,7)
InChIKeyKNYVVQVDSBFQFM-UHFFFAOYSA-N
XLogP2.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid (CID 24792335) is 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid is O=C(COc1ccc2ccccc2c1)N1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid?
The InChIKey is KNYVVQVDSBFQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2.C2HF3O2/c19-16(18-9-7-17-8-10-18)12-20-15-6-5-13-3-1-2-4-14(13)11-15;3-2(4,5)1(6)7/h1-6,11,17H,7-10,12H2;(H,6,7).
What are the key properties of 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid?
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid has a molecular weight of 384.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 24792335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).