(1,2,6-trimethylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride

C22H28ClNO2 — CID 138400545

IUPAC(1,2,6-trimethylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride
SMILESCC1CC(OC(=O)C(c2ccccc2)c2ccccc2)CC(C)N1C.Cl
InChIInChI=1S/C22H27NO2.ClH/c1-16-14-20(15-17(2)23(16)3)25-22(24)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19;/h4-13,16-17,20-21H,14-15H2,1-3H3;1H
InChIKeyLXYHHQBJIVTGNY-UHFFFAOYSA-N
MW373.92 g/mol
LogP4.65
Rot. Bonds4

About (1,2,6-trimethylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride

(1,2,6-trimethylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride (PubChem CID 138400545) has the molecular formula C22H28ClNO2 and a molecular weight of 373.92 g/mol. Its IUPAC name is (1,2,6-trimethylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride.

Molecular Properties

Compound Name(1,2,6-trimethylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride
PubChem CID138400545
Molecular FormulaC22H28ClNO2
Molecular Weight373.92 g/mol
Exact Mass373.18
IUPAC Name(1,2,6-trimethylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride
SMILESCC1CC(OC(=O)C(c2ccccc2)c2ccccc2)CC(C)N1C.Cl
InChIInChI=1S/C22H27NO2.ClH/c1-16-14-20(15-17(2)23(16)3)25-22(24)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19;/h4-13,16-17,20-21H,14-15H2,1-3H3;1H
InChIKeyLXYHHQBJIVTGNY-UHFFFAOYSA-N
XLogP4.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.92
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(8-methyl-8-azabicyclo[3.2.1]oct-6-en-3-yl) 2-(4-hydroxyphenyl)-2-phenylacetate
CID 140522919
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenyl)-2-phenylacetate
CID 3057560
[(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate
CID 769610
[(4R,6R)-1,2,2,6-tetramethylpiperidin-4-yl] (2R)-2-hydroxy-2-phenylacetate
CID 25021673
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate;hydrobromide
CID 5821
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate
CID 70234124
[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
CID 6334600
[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
CID 6931560
[1-[5-[4-(2,2-diphenylacetyl)oxy-1-methylpiperidin-1-ium-1-yl]pentyl]-1-methylpiperidin-1-ium-4-yl] 2,2-diphenylacetate
CID 56610032
[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrochloride
CID 51051790
[(2R,5S)-10-methyl-10-azatricyclo[4.3.1.02,5]decan-8-yl] (2S)-3-hydroxy-2-phenylpropanoate
CID 163553405
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate;sulfuric acid;hydrochloride
CID 70532334

Frequently Asked Questions

What is the IUPAC name of (1,2,6-trimethylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride?
The IUPAC name of (1,2,6-trimethylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride (CID 138400545) is (1,2,6-trimethylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride.
What is the SMILES notation for (1,2,6-trimethylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride?
The canonical SMILES for (1,2,6-trimethylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride is CC1CC(OC(=O)C(c2ccccc2)c2ccccc2)CC(C)N1C.Cl.
What is the InChIKey of (1,2,6-trimethylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride?
The InChIKey is LXYHHQBJIVTGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2.ClH/c1-16-14-20(15-17(2)23(16)3)25-22(24)21(18-10-6-4-7-11-18)19-12-8-5-9-13-19;/h4-13,16-17,20-21H,14-15H2,1-3H3;1H.
What are the key properties of (1,2,6-trimethylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride?
(1,2,6-trimethylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride has a molecular weight of 373.92 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,6-trimethylpiperidin-4-yl) 2,2-diphenylacetate;hydrochloride is sourced from PubChem (CID 138400545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).