4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid

C14H20N2O3 — CID 102958647

IUPAC4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
SMILESCOC1CN(c2cc(C)ncc2C(=O)O)CCC1C
InChIInChI=1S/C14H20N2O3/c1-9-4-5-16(8-13(9)19-3)12-6-10(2)15-7-11(12)14(17)18/h6-7,9,13H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyJYLIWAQBJVHGHY-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.95
Rot. Bonds3

About 4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid

4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid (PubChem CID 102958647) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
PubChem CID102958647
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
SMILESCOC1CN(c2cc(C)ncc2C(=O)O)CCC1C
InChIInChI=1S/C14H20N2O3/c1-9-4-5-16(8-13(9)19-3)12-6-10(2)15-7-11(12)14(17)18/h6-7,9,13H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyJYLIWAQBJVHGHY-UHFFFAOYSA-N
XLogP1.95
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid (CID 102958647) is 4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid is COC1CN(c2cc(C)ncc2C(=O)O)CCC1C.
What is the InChIKey of 4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid?
The InChIKey is JYLIWAQBJVHGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9-4-5-16(8-13(9)19-3)12-6-10(2)15-7-11(12)14(17)18/h6-7,9,13H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid?
4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 102958647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).