ethyl (2R)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate

C22H28NO2+ — CID 6943132

IUPACethyl (2R)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCC[NH+]1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO2/c1-2-25-22(24)21-15-9-10-16-23(21)17-20(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,20-21H,2,9-10,15-17H2,1H3/p+1/t21-/m1/s1
InChIKeyDYKVXIZNZZFFBY-OAQYLSRUSA-O
MW338.47 g/mol
LogP2.82
Rot. Bonds6

About ethyl (2R)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate

ethyl (2R)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate (PubChem CID 6943132) has the molecular formula C22H28NO2+ and a molecular weight of 338.47 g/mol. Its IUPAC name is ethyl (2R)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate
PubChem CID6943132
Molecular FormulaC22H28NO2+
Molecular Weight338.47 g/mol
Exact Mass338.21
IUPAC Nameethyl (2R)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate
SMILESCCOC(=O)[C@H]1CCCC[NH+]1CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27NO2/c1-2-25-22(24)21-15-9-10-16-23(21)17-20(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,20-21H,2,9-10,15-17H2,1H3/p+1/t21-/m1/s1
InChIKeyDYKVXIZNZZFFBY-OAQYLSRUSA-O
XLogP2.82
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl (2R)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-2-carboxylate
CID 6939950
ethyl (2R)-1-[(3-bromophenyl)methyl]piperidin-1-ium-2-carboxylate
CID 6939781
ethyl (2S)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-1-ium-2-carboxylate
CID 7446416
ethyl 1-[(2S)-2-phenylpropyl]piperidin-1-ium-4-carboxylate
CID 6962639
ethyl (2S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-1-ium-2-carboxylate
CID 6944035
ethyl (2R)-3-cyclopentyl-2-phenylpropanoate
CID 129391453
2-O-benzyl 1-O-ethyl cyclohexane-1,2-dicarboxylate
CID 138567000
ethyl 2-[[cyclopropyl(phenyl)methyl]amino]cyclohexane-1-carboxylate
CID 57012477
ethyl (3S)-3-cyclohexyl-3-phenylpropanoate
CID 125468052
ethyl (2S)-2-phenylcyclohexane-1-carboxylate
CID 101094608
ethyl (3R)-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.2]octane-3-carboxylate
CID 15782972
ethyl 1-benzhydrylazetidine-3-carboxylate
CID 3300764

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate?
The IUPAC name of ethyl (2R)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate (CID 6943132) is ethyl (2R)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate.
What is the SMILES notation for ethyl (2R)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate?
The canonical SMILES for ethyl (2R)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate is CCOC(=O)[C@H]1CCCC[NH+]1CC(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl (2R)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate?
The InChIKey is DYKVXIZNZZFFBY-OAQYLSRUSA-O. The full InChI is InChI=1S/C22H27NO2/c1-2-25-22(24)21-15-9-10-16-23(21)17-20(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,20-21H,2,9-10,15-17H2,1H3/p+1/t21-/m1/s1.
What are the key properties of ethyl (2R)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate?
ethyl (2R)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate has a molecular weight of 338.47 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-1-(2,2-diphenylethyl)piperidin-1-ium-2-carboxylate is sourced from PubChem (CID 6943132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).