(2,2,6,6-tetramethylpiperidin-1-yl) benzoate

C16H23NO2 — CID 14572527

IUPAC(2,2,6,6-tetramethylpiperidin-1-yl) benzoate
SMILESCC1(C)CCCC(C)(C)N1OC(=O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-15(2)11-8-12-16(3,4)17(15)19-14(18)13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-4H3
InChIKeyFUBSIJDEARTVPY-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.80
Rot. Bonds2

About (2,2,6,6-tetramethylpiperidin-1-yl) benzoate

(2,2,6,6-tetramethylpiperidin-1-yl) benzoate (PubChem CID 14572527) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-1-yl) benzoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-1-yl) benzoate
PubChem CID14572527
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name(2,2,6,6-tetramethylpiperidin-1-yl) benzoate
SMILESCC1(C)CCCC(C)(C)N1OC(=O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-15(2)11-8-12-16(3,4)17(15)19-14(18)13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-4H3
InChIKeyFUBSIJDEARTVPY-UHFFFAOYSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-1-yl) benzoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-1-yl) benzoate (CID 14572527) is (2,2,6,6-tetramethylpiperidin-1-yl) benzoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-1-yl) benzoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-1-yl) benzoate is CC1(C)CCCC(C)(C)N1OC(=O)c1ccccc1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-1-yl) benzoate?
The InChIKey is FUBSIJDEARTVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-15(2)11-8-12-16(3,4)17(15)19-14(18)13-9-6-5-7-10-13/h5-7,9-10H,8,11-12H2,1-4H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-1-yl) benzoate?
(2,2,6,6-tetramethylpiperidin-1-yl) benzoate has a molecular weight of 261.37 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-1-yl) benzoate is sourced from PubChem (CID 14572527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).