2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid

C15H21NO3 — CID 102958674

IUPAC2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid
SMILESCOC1CN(c2ccc(C)cc2C(=O)O)CCC1C
InChIInChI=1S/C15H21NO3/c1-10-4-5-13(12(8-10)15(17)18)16-7-6-11(2)14(9-16)19-3/h4-5,8,11,14H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyMFKRGYMNQAPHCE-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.55
Rot. Bonds3

About 2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid

2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid (PubChem CID 102958674) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid
PubChem CID102958674
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid
SMILESCOC1CN(c2ccc(C)cc2C(=O)O)CCC1C
InChIInChI=1S/C15H21NO3/c1-10-4-5-13(12(8-10)15(17)18)16-7-6-11(2)14(9-16)19-3/h4-5,8,11,14H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyMFKRGYMNQAPHCE-UHFFFAOYSA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzenecarbothioamide
CID 107929353
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 102958667
4-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboxylic acid
CID 102958647
3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzoic acid
CID 102965809
2-bromo-3-fluoro-4-(3-methoxy-4-methylpiperidin-1-yl)benzoic acid
CID 107540548
5-methyl-2-(3-methylazetidin-1-yl)benzoic acid
CID 79687790
2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid
CID 55082978
4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrobenzoic acid
CID 102958681
3-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)benzaldehyde
CID 102959181
methyl 3-amino-4-(3-methoxy-4-methylpiperidin-1-yl)benzoate
CID 102964150
5-methyl-2-(2-methylazetidin-1-yl)benzoic acid
CID 79686311
5-bromo-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955590

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid?
The IUPAC name of 2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid (CID 102958674) is 2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid.
What is the SMILES notation for 2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid?
The canonical SMILES for 2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid is COC1CN(c2ccc(C)cc2C(=O)O)CCC1C.
What is the InChIKey of 2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid?
The InChIKey is MFKRGYMNQAPHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-4-5-13(12(8-10)15(17)18)16-7-6-11(2)14(9-16)19-3/h4-5,8,11,14H,6-7,9H2,1-3H3,(H,17,18).
What are the key properties of 2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid?
2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid is sourced from PubChem (CID 102958674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).