(2,2,6,6-tetramethylpiperidin-4-yl) 4-hydroxy-3,5-dimethylbenzoate

C18H27NO3 — CID 21339872

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 4-hydroxy-3,5-dimethylbenzoate
SMILESCc1cc(C(=O)OC2CC(C)(C)NC(C)(C)C2)cc(C)c1O
InChIInChI=1S/C18H27NO3/c1-11-7-13(8-12(2)15(11)20)16(21)22-14-9-17(3,4)19-18(5,6)10-14/h7-8,14,19-20H,9-10H2,1-6H3
InChIKeyBJSXYBAIYVJBEP-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.48
Rot. Bonds2

About (2,2,6,6-tetramethylpiperidin-4-yl) 4-hydroxy-3,5-dimethylbenzoate

(2,2,6,6-tetramethylpiperidin-4-yl) 4-hydroxy-3,5-dimethylbenzoate (PubChem CID 21339872) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 4-hydroxy-3,5-dimethylbenzoate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 4-hydroxy-3,5-dimethylbenzoate
PubChem CID21339872
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 4-hydroxy-3,5-dimethylbenzoate
SMILESCc1cc(C(=O)OC2CC(C)(C)NC(C)(C)C2)cc(C)c1O
InChIInChI=1S/C18H27NO3/c1-11-7-13(8-12(2)15(11)20)16(21)22-14-9-17(3,4)19-18(5,6)10-14/h7-8,14,19-20H,9-10H2,1-6H3
InChIKeyBJSXYBAIYVJBEP-UHFFFAOYSA-N
XLogP3.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 4-hydroxy-3,5-dimethylbenzoate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 4-hydroxy-3,5-dimethylbenzoate (CID 21339872) is (2,2,6,6-tetramethylpiperidin-4-yl) 4-hydroxy-3,5-dimethylbenzoate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 4-hydroxy-3,5-dimethylbenzoate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 4-hydroxy-3,5-dimethylbenzoate is Cc1cc(C(=O)OC2CC(C)(C)NC(C)(C)C2)cc(C)c1O.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 4-hydroxy-3,5-dimethylbenzoate?
The InChIKey is BJSXYBAIYVJBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-11-7-13(8-12(2)15(11)20)16(21)22-14-9-17(3,4)19-18(5,6)10-14/h7-8,14,19-20H,9-10H2,1-6H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 4-hydroxy-3,5-dimethylbenzoate?
(2,2,6,6-tetramethylpiperidin-4-yl) 4-hydroxy-3,5-dimethylbenzoate has a molecular weight of 305.42 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) 4-hydroxy-3,5-dimethylbenzoate is sourced from PubChem (CID 21339872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).