1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid

C21H25NO2 — CID 122125184

IUPAC1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H25NO2/c1-16-12-19(21(23)24)14-22(13-16)15-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3,(H,23,24)
InChIKeyJOMIUUPROSJAKX-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.86
Rot. Bonds5

About 1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid

1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid (PubChem CID 122125184) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid
PubChem CID122125184
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H25NO2/c1-16-12-19(21(23)24)14-22(13-16)15-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3,(H,23,24)
InChIKeyJOMIUUPROSJAKX-UHFFFAOYSA-N
XLogP3.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1,3-dioxoisoindol-2-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 131197879
5-methyl-1-[(2S)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122117477
5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid
CID 122120007
1-(4-methyl-2-phenylpentyl)azetidine-3-carboxylic acid
CID 122046799
1-(2,2-diphenylethyl)-3-methylpyrrolidine
CID 22949855
1-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121437
5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 122122525
5-methyl-1-propylpiperidine-3-carboxylic acid
CID 130942470
1-[2-(N-cyclohexylanilino)-2-oxoethyl]-5-methylpiperidine-3-carboxylic acid
CID 122121628
1-[(1-benzylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125500
1-[(4-methoxynaphthalen-1-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125443
5-methyl-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 122121790

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid (CID 122125184) is 1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(CC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid?
The InChIKey is JOMIUUPROSJAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-16-12-19(21(23)24)14-22(13-16)15-20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,19-20H,12-15H2,1H3,(H,23,24).
What are the key properties of 1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid?
1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid has a molecular weight of 323.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122125184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).