1-(2-methoxy-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid

C13H18N2O3 — CID 113430727

IUPAC1-(2-methoxy-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid
SMILESCOc1cc(N2CCCCC2(C)C(=O)O)ccn1
InChIInChI=1S/C13H18N2O3/c1-13(12(16)17)6-3-4-8-15(13)10-5-7-14-11(9-10)18-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,16,17)
InChIKeyOVWOLCCGMSBSEP-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.92
Rot. Bonds3

About 1-(2-methoxy-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid

1-(2-methoxy-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid (PubChem CID 113430727) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(2-methoxy-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid
PubChem CID113430727
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name1-(2-methoxy-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid
SMILESCOc1cc(N2CCCCC2(C)C(=O)O)ccn1
InChIInChI=1S/C13H18N2O3/c1-13(12(16)17)6-3-4-8-15(13)10-5-7-14-11(9-10)18-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,16,17)
InChIKeyOVWOLCCGMSBSEP-UHFFFAOYSA-N
XLogP1.92
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(2-methoxy-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid (CID 113430727) is 1-(2-methoxy-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid is COc1cc(N2CCCCC2(C)C(=O)O)ccn1.
What is the InChIKey of 1-(2-methoxy-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid?
The InChIKey is OVWOLCCGMSBSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(12(16)17)6-3-4-8-15(13)10-5-7-14-11(9-10)18-2/h5,7,9H,3-4,6,8H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-methoxy-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid?
1-(2-methoxy-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-pyridinyl)-2-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 113430727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).