4-(1-Naphthoyloxy)-2,2,6,6-tetramethylpiperidine-1-oxyl

C20H24NO3 — CID 3035630

IUPAC—
SMILESCC1(C)CC(OC(=O)c2cccc3ccccc23)CC(C)(C)N1[O]
InChIInChI=1S/C20H24NO3/c1-19(2)12-15(13-20(3,4)21(19)23)24-18(22)17-11-7-9-14-8-5-6-10-16(14)17/h5-11,15H,12-13H2,1-4H3
InChIKeyKRUFSEDKEYJKKH-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.36
Rot. Bonds2

About 4-(1-Naphthoyloxy)-2,2,6,6-tetramethylpiperidine-1-oxyl

4-(1-Naphthoyloxy)-2,2,6,6-tetramethylpiperidine-1-oxyl (PubChem CID 3035630) has the molecular formula C20H24NO3 and a molecular weight of 326.42 g/mol.

Molecular Properties

Compound Name4-(1-Naphthoyloxy)-2,2,6,6-tetramethylpiperidine-1-oxyl
PubChem CID3035630
Molecular FormulaC20H24NO3
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC Name—
SMILESCC1(C)CC(OC(=O)c2cccc3ccccc23)CC(C)(C)N1[O]
InChIInChI=1S/C20H24NO3/c1-19(2)12-15(13-20(3,4)21(19)23)24-18(22)17-11-7-9-14-8-5-6-10-16(14)17/h5-11,15H,12-13H2,1-4H3
InChIKeyKRUFSEDKEYJKKH-UHFFFAOYSA-N
XLogP4.36
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-Naphthoyloxy)-2,2,6,6-tetramethylpiperidine-1-oxyl?
The IUPAC name of 4-(1-Naphthoyloxy)-2,2,6,6-tetramethylpiperidine-1-oxyl (CID 3035630) is not available.
What is the SMILES notation for 4-(1-Naphthoyloxy)-2,2,6,6-tetramethylpiperidine-1-oxyl?
The canonical SMILES for 4-(1-Naphthoyloxy)-2,2,6,6-tetramethylpiperidine-1-oxyl is CC1(C)CC(OC(=O)c2cccc3ccccc23)CC(C)(C)N1[O].
What is the InChIKey of 4-(1-Naphthoyloxy)-2,2,6,6-tetramethylpiperidine-1-oxyl?
The InChIKey is KRUFSEDKEYJKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24NO3/c1-19(2)12-15(13-20(3,4)21(19)23)24-18(22)17-11-7-9-14-8-5-6-10-16(14)17/h5-11,15H,12-13H2,1-4H3.
What are the key properties of 4-(1-Naphthoyloxy)-2,2,6,6-tetramethylpiperidine-1-oxyl?
4-(1-Naphthoyloxy)-2,2,6,6-tetramethylpiperidine-1-oxyl has a molecular weight of 326.42 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-Naphthoyloxy)-2,2,6,6-tetramethylpiperidine-1-oxyl is sourced from PubChem (CID 3035630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).