2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)benzoic acid

C20H31NO2 — CID 54530011

IUPAC2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)benzoic acid
SMILESCCCCN1C(C)(C)CC(c2ccccc2C(=O)O)CC1(C)C
InChIInChI=1S/C20H31NO2/c1-6-7-12-21-19(2,3)13-15(14-20(21,4)5)16-10-8-9-11-17(16)18(22)23/h8-11,15H,6-7,12-14H2,1-5H3,(H,22,23)
InChIKeyYVVRZDIZEGILTD-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.92
Rot. Bonds5

About 2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)benzoic acid

2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)benzoic acid (PubChem CID 54530011) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is 2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)benzoic acid.

Molecular Properties

Compound Name2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)benzoic acid
PubChem CID54530011
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Name2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)benzoic acid
SMILESCCCCN1C(C)(C)CC(c2ccccc2C(=O)O)CC1(C)C
InChIInChI=1S/C20H31NO2/c1-6-7-12-21-19(2,3)13-15(14-20(21,4)5)16-10-8-9-11-17(16)18(22)23/h8-11,15H,6-7,12-14H2,1-5H3,(H,22,23)
InChIKeyYVVRZDIZEGILTD-UHFFFAOYSA-N
XLogP4.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)benzoic acid?
The IUPAC name of 2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)benzoic acid (CID 54530011) is 2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)benzoic acid.
What is the SMILES notation for 2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)benzoic acid?
The canonical SMILES for 2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)benzoic acid is CCCCN1C(C)(C)CC(c2ccccc2C(=O)O)CC1(C)C.
What is the InChIKey of 2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)benzoic acid?
The InChIKey is YVVRZDIZEGILTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-6-7-12-21-19(2,3)13-15(14-20(21,4)5)16-10-8-9-11-17(16)18(22)23/h8-11,15H,6-7,12-14H2,1-5H3,(H,22,23).
What are the key properties of 2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)benzoic acid?
2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)benzoic acid has a molecular weight of 317.47 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)benzoic acid is sourced from PubChem (CID 54530011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).