2,2,2-trifluoro-1-[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]ethanone

C20H23F3N2O2 — CID 3055322

IUPAC2,2,2-trifluoro-1-[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]ethanone
SMILESCOc1ccc2cc(C(C)CN3CCN(C(=O)C(F)(F)F)CC3)ccc2c1
InChIInChI=1S/C20H23F3N2O2/c1-14(13-24-7-9-25(10-8-24)19(26)20(21,22)23)15-3-4-17-12-18(27-2)6-5-16(17)11-15/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyLWAKZHFREXVCDV-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.66
Rot. Bonds4

About 2,2,2-trifluoro-1-[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]ethanone

2,2,2-trifluoro-1-[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]ethanone (PubChem CID 3055322) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]ethanone
PubChem CID3055322
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name2,2,2-trifluoro-1-[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]ethanone
SMILESCOc1ccc2cc(C(C)CN3CCN(C(=O)C(F)(F)F)CC3)ccc2c1
InChIInChI=1S/C20H23F3N2O2/c1-14(13-24-7-9-25(10-8-24)19(26)20(21,22)23)15-3-4-17-12-18(27-2)6-5-16(17)11-15/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyLWAKZHFREXVCDV-UHFFFAOYSA-N
XLogP3.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]ethanone (CID 3055322) is 2,2,2-trifluoro-1-[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]ethanone is COc1ccc2cc(C(C)CN3CCN(C(=O)C(F)(F)F)CC3)ccc2c1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]ethanone?
The InChIKey is LWAKZHFREXVCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-14(13-24-7-9-25(10-8-24)19(26)20(21,22)23)15-3-4-17-12-18(27-2)6-5-16(17)11-15/h3-6,11-12,14H,7-10,13H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]ethanone has a molecular weight of 380.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 3055322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).