1-(2-methoxy-2,2-diphenylethyl)piperidine-3-carboxylic acid

C21H25NO3 — CID 174416166

IUPAC1-(2-methoxy-2,2-diphenylethyl)piperidine-3-carboxylic acid
SMILESCOC(CN1CCCC(C(=O)O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3/c1-25-21(18-10-4-2-5-11-18,19-12-6-3-7-13-19)16-22-14-8-9-17(15-22)20(23)24/h2-7,10-13,17H,8-9,14-16H2,1H3,(H,23,24)
InChIKeyBLQRJKRSEMZTOC-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.37
Rot. Bonds6

About 1-(2-methoxy-2,2-diphenylethyl)piperidine-3-carboxylic acid

1-(2-methoxy-2,2-diphenylethyl)piperidine-3-carboxylic acid (PubChem CID 174416166) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(2-methoxy-2,2-diphenylethyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-2,2-diphenylethyl)piperidine-3-carboxylic acid
PubChem CID174416166
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name1-(2-methoxy-2,2-diphenylethyl)piperidine-3-carboxylic acid
SMILESCOC(CN1CCCC(C(=O)O)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H25NO3/c1-25-21(18-10-4-2-5-11-18,19-12-6-3-7-13-19)16-22-14-8-9-17(15-22)20(23)24/h2-7,10-13,17H,8-9,14-16H2,1H3,(H,23,24)
InChIKeyBLQRJKRSEMZTOC-UHFFFAOYSA-N
XLogP3.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-1-(2-hydroxy-2-phenylpropyl)piperidine-3-carboxylate
CID 79037956
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CID 10252950
1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 119167919
(3S)-1-(2-methoxy-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 119174314
1-(methoxymethyl)piperidine-3-carboxylic acid
CID 67043579
1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid
CID 3997008
1-(2-ethyl-2-hydroxybutyl)piperidine-3-carboxylic acid
CID 114494750
1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid
CID 122040667
(3R)-1-(4-phenoxybutyl)piperidine-3-carboxylic acid;hydrochloride
CID 67723520
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 24904811
(3S)-1-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 27440266
1-[2-hydroxy-2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]propyl]piperidine-3-carboxylic acid
CID 87214204

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2,2-diphenylethyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxy-2,2-diphenylethyl)piperidine-3-carboxylic acid (CID 174416166) is 1-(2-methoxy-2,2-diphenylethyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-2,2-diphenylethyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-2,2-diphenylethyl)piperidine-3-carboxylic acid is COC(CN1CCCC(C(=O)O)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2-methoxy-2,2-diphenylethyl)piperidine-3-carboxylic acid?
The InChIKey is BLQRJKRSEMZTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-25-21(18-10-4-2-5-11-18,19-12-6-3-7-13-19)16-22-14-8-9-17(15-22)20(23)24/h2-7,10-13,17H,8-9,14-16H2,1H3,(H,23,24).
What are the key properties of 1-(2-methoxy-2,2-diphenylethyl)piperidine-3-carboxylic acid?
1-(2-methoxy-2,2-diphenylethyl)piperidine-3-carboxylic acid has a molecular weight of 339.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2,2-diphenylethyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 174416166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).