(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate

C16H23NO3 — CID 688178

IUPAC(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate
SMILESCC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1O
InChIInChI=1S/C16H23NO3/c1-15(2)10-13(11-16(3,4)17(15)19)20-14(18)12-8-6-5-7-9-12/h5-9,13,19H,10-11H2,1-4H3
InChIKeyDRFYZAIGLPMIOS-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.25
Rot. Bonds2

About (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate

(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate (PubChem CID 688178) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate.

Molecular Properties

Compound Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate
PubChem CID688178
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate
SMILESCC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1O
InChIInChI=1S/C16H23NO3/c1-15(2)10-13(11-16(3,4)17(15)19)20-14(18)12-8-6-5-7-9-12/h5-9,13,19H,10-11H2,1-4H3
InChIKeyDRFYZAIGLPMIOS-UHFFFAOYSA-N
XLogP3.25
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate?
The IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate (CID 688178) is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate.
What is the SMILES notation for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate?
The canonical SMILES for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate is CC1(C)CC(OC(=O)c2ccccc2)CC(C)(C)N1O.
What is the InChIKey of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate?
The InChIKey is DRFYZAIGLPMIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-15(2)10-13(11-16(3,4)17(15)19)20-14(18)12-8-6-5-7-9-12/h5-9,13,19H,10-11H2,1-4H3.
What are the key properties of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate?
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate has a molecular weight of 277.36 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) benzoate is sourced from PubChem (CID 688178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).