(2,2,6-trimethylpiperidin-4-yl) benzoate

C15H21NO2 — CID 10373

IUPAC(2,2,6-trimethylpiperidin-4-yl) benzoate
SMILESCC1CC(OC(=O)c2ccccc2)CC(C)(C)N1
InChIInChI=1S/C15H21NO2/c1-11-9-13(10-15(2,3)16-11)18-14(17)12-7-5-4-6-8-12/h4-8,11,13,16H,9-10H2,1-3H3
InChIKeyZYHGIAPHLSTGMX-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.76
Rot. Bonds2

About (2,2,6-trimethylpiperidin-4-yl) benzoate

(2,2,6-trimethylpiperidin-4-yl) benzoate (PubChem CID 10373) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2,2,6-trimethylpiperidin-4-yl) benzoate.

Molecular Properties

Compound Name(2,2,6-trimethylpiperidin-4-yl) benzoate
PubChem CID10373
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2,2,6-trimethylpiperidin-4-yl) benzoate
SMILESCC1CC(OC(=O)c2ccccc2)CC(C)(C)N1
InChIInChI=1S/C15H21NO2/c1-11-9-13(10-15(2,3)16-11)18-14(17)12-7-5-4-6-8-12/h4-8,11,13,16H,9-10H2,1-3H3
InChIKeyZYHGIAPHLSTGMX-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-Propanol, 2-methyl-2-(propylamino)-, 1-benzoate, hydrochloride (1:1)
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8-Azabicyclo(3.2.1)octan-3-ol, 8-methyl-, benzoate (ester), endo-
CID 637578
Piperocaine Hydrochloride
CID 10781
Piperocaine
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Cocaine(1+)
CID 21635054
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3,5-dimethylbenzoate
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[(1r,5s)-8-Azabicyclo[3.2.1]octan-3-Yl] Benzoate
CID 11458897

Frequently Asked Questions

What is the IUPAC name of (2,2,6-trimethylpiperidin-4-yl) benzoate?
The IUPAC name of (2,2,6-trimethylpiperidin-4-yl) benzoate (CID 10373) is (2,2,6-trimethylpiperidin-4-yl) benzoate.
What is the SMILES notation for (2,2,6-trimethylpiperidin-4-yl) benzoate?
The canonical SMILES for (2,2,6-trimethylpiperidin-4-yl) benzoate is CC1CC(OC(=O)c2ccccc2)CC(C)(C)N1.
What is the InChIKey of (2,2,6-trimethylpiperidin-4-yl) benzoate?
The InChIKey is ZYHGIAPHLSTGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-9-13(10-15(2,3)16-11)18-14(17)12-7-5-4-6-8-12/h4-8,11,13,16H,9-10H2,1-3H3.
What are the key properties of (2,2,6-trimethylpiperidin-4-yl) benzoate?
(2,2,6-trimethylpiperidin-4-yl) benzoate has a molecular weight of 247.34 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6-trimethylpiperidin-4-yl) benzoate is sourced from PubChem (CID 10373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).