(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2-carboxylate

C20H25NO2 — CID 14149694

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2-carboxylate
SMILESCC1(C)CC(OC(=O)c2ccc3ccccc3c2)CC(C)(C)N1
InChIInChI=1S/C20H25NO2/c1-19(2)12-17(13-20(3,4)21-19)23-18(22)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,17,21H,12-13H2,1-4H3
InChIKeyYCPUINYTTZGMGT-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.31
Rot. Bonds2

About (2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2-carboxylate

(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2-carboxylate (PubChem CID 14149694) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2-carboxylate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2-carboxylate
PubChem CID14149694
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2-carboxylate
SMILESCC1(C)CC(OC(=O)c2ccc3ccccc3c2)CC(C)(C)N1
InChIInChI=1S/C20H25NO2/c1-19(2)12-17(13-20(3,4)21-19)23-18(22)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,17,21H,12-13H2,1-4H3
InChIKeyYCPUINYTTZGMGT-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2-carboxylate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2-carboxylate (CID 14149694) is (2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2-carboxylate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2-carboxylate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2-carboxylate is CC1(C)CC(OC(=O)c2ccc3ccccc3c2)CC(C)(C)N1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2-carboxylate?
The InChIKey is YCPUINYTTZGMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-19(2)12-17(13-20(3,4)21-19)23-18(22)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,17,21H,12-13H2,1-4H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2-carboxylate?
(2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2-carboxylate has a molecular weight of 311.43 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) naphthalene-2-carboxylate is sourced from PubChem (CID 14149694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).