1-[(2,3-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid

C20H24N2O4 — CID 3949062

IUPAC1-[(2,3-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid
SMILESCOc1cccc(C(c2ccccn2)N2CCC(C(=O)O)CC2)c1OC
InChIInChI=1S/C20H24N2O4/c1-25-17-8-5-6-15(19(17)26-2)18(16-7-3-4-11-21-16)22-12-9-14(10-13-22)20(23)24/h3-8,11,14,18H,9-10,12-13H2,1-2H3,(H,23,24)
InChIKeyJEYVTIIPQGWPNV-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.98
Rot. Bonds6

About 1-[(2,3-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid

1-[(2,3-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid (PubChem CID 3949062) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid
PubChem CID3949062
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name1-[(2,3-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid
SMILESCOc1cccc(C(c2ccccn2)N2CCC(C(=O)O)CC2)c1OC
InChIInChI=1S/C20H24N2O4/c1-25-17-8-5-6-15(19(17)26-2)18(16-7-3-4-11-21-16)22-12-9-14(10-13-22)20(23)24/h3-8,11,14,18H,9-10,12-13H2,1-2H3,(H,23,24)
InChIKeyJEYVTIIPQGWPNV-UHFFFAOYSA-N
XLogP2.98
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,6-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid
CID 3948201
1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3512892
1-[(2,3-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3600739
1-[(5-chloro-2-methoxyphenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4007613
1-[(2,3-dimethoxyphenyl)-(2,4-dimethylphenyl)methyl]piperidine-4-carboxylic acid
CID 4241750
1-[(2,3-dimethoxyphenyl)-thiophen-3-ylmethyl]piperidine-4-carboxylic acid
CID 3634513
1-[(2,3-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid
CID 3872440
1-[(2,3-dimethoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 3679806
1-[(2,6-dimethoxyphenyl)-(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4019790
1-[(3,4-dimethoxyphenyl)-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4283453
1-[pyridin-2-yl(quinolin-2-yl)methyl]piperidine-4-carboxylic acid
CID 3667870
1-[(3-ethoxy-4-methoxyphenyl)-naphthalen-1-ylmethyl]piperidine-4-carboxylic acid
CID 3359268

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid (CID 3949062) is 1-[(2,3-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid is COc1cccc(C(c2ccccn2)N2CCC(C(=O)O)CC2)c1OC.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid?
The InChIKey is JEYVTIIPQGWPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-25-17-8-5-6-15(19(17)26-2)18(16-7-3-4-11-21-16)22-12-9-14(10-13-22)20(23)24/h3-8,11,14,18H,9-10,12-13H2,1-2H3,(H,23,24).
What are the key properties of 1-[(2,3-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid?
1-[(2,3-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid has a molecular weight of 356.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)-pyridin-2-ylmethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 3949062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).