[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl] 2,2-dimethylpropanoate

C19H23FN2O2 — CID 174491489

IUPAC[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCN(c2cccc3cccc(F)c23)CC1
InChIInChI=1S/C19H23FN2O2/c1-19(2,3)18(23)24-22-12-10-21(11-13-22)16-9-5-7-14-6-4-8-15(20)17(14)16/h4-9H,10-13H2,1-3H3
InChIKeyAKBZOSJWYMZYKC-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.61
Rot. Bonds2

About [4-(8-fluoronaphthalen-1-yl)piperazin-1-yl] 2,2-dimethylpropanoate

[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174491489) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is [4-(8-fluoronaphthalen-1-yl)piperazin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl] 2,2-dimethylpropanoate
PubChem CID174491489
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CCN(c2cccc3cccc(F)c23)CC1
InChIInChI=1S/C19H23FN2O2/c1-19(2,3)18(23)24-22-12-10-21(11-13-22)16-9-5-7-14-6-4-8-15(20)17(14)16/h4-9H,10-13H2,1-3H3
InChIKeyAKBZOSJWYMZYKC-UHFFFAOYSA-N
XLogP3.61
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(8-fluoronaphthalen-1-yl)piperazin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-(8-fluoronaphthalen-1-yl)piperazin-1-yl] 2,2-dimethylpropanoate (CID 174491489) is [4-(8-fluoronaphthalen-1-yl)piperazin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-(8-fluoronaphthalen-1-yl)piperazin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-(8-fluoronaphthalen-1-yl)piperazin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CCN(c2cccc3cccc(F)c23)CC1.
What is the InChIKey of [4-(8-fluoronaphthalen-1-yl)piperazin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is AKBZOSJWYMZYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-19(2,3)18(23)24-22-12-10-21(11-13-22)16-9-5-7-14-6-4-8-15(20)17(14)16/h4-9H,10-13H2,1-3H3.
What are the key properties of [4-(8-fluoronaphthalen-1-yl)piperazin-1-yl] 2,2-dimethylpropanoate?
[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 330.40 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-fluoronaphthalen-1-yl)piperazin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174491489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).