(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-hydroxybenzoate

C19H29NO3 — CID 21330391

IUPAC(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-hydroxybenzoate
SMILESCCC1(C)CC(OC(=O)c2ccccc2O)C(C)C(C)(CC)N1
InChIInChI=1S/C19H29NO3/c1-6-18(4)12-16(13(3)19(5,7-2)20-18)23-17(22)14-10-8-9-11-15(14)21/h8-11,13,16,20-21H,6-7,12H2,1-5H3
InChIKeyGBLWDSVQERIQGM-UHFFFAOYSA-N
MW319.44 g/mol
LogP3.88
Rot. Bonds4

About (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-hydroxybenzoate

(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-hydroxybenzoate (PubChem CID 21330391) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-hydroxybenzoate.

Molecular Properties

Compound Name(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-hydroxybenzoate
PubChem CID21330391
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Name(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-hydroxybenzoate
SMILESCCC1(C)CC(OC(=O)c2ccccc2O)C(C)C(C)(CC)N1
InChIInChI=1S/C19H29NO3/c1-6-18(4)12-16(13(3)19(5,7-2)20-18)23-17(22)14-10-8-9-11-15(14)21/h8-11,13,16,20-21H,6-7,12H2,1-5H3
InChIKeyGBLWDSVQERIQGM-UHFFFAOYSA-N
XLogP3.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-hydroxybenzoate?
The IUPAC name of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-hydroxybenzoate (CID 21330391) is (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-hydroxybenzoate.
What is the SMILES notation for (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-hydroxybenzoate?
The canonical SMILES for (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-hydroxybenzoate is CCC1(C)CC(OC(=O)c2ccccc2O)C(C)C(C)(CC)N1.
What is the InChIKey of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-hydroxybenzoate?
The InChIKey is GBLWDSVQERIQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-6-18(4)12-16(13(3)19(5,7-2)20-18)23-17(22)14-10-8-9-11-15(14)21/h8-11,13,16,20-21H,6-7,12H2,1-5H3.
What are the key properties of (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-hydroxybenzoate?
(2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-hydroxybenzoate has a molecular weight of 319.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethyl-2,3,6-trimethylpiperidin-4-yl) 2-hydroxybenzoate is sourced from PubChem (CID 21330391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).