5-methyl-2-piperidin-1-ylbenzene-1,3-dicarboxylic acid

C14H17NO4 — CID 174667046

IUPAC5-methyl-2-piperidin-1-ylbenzene-1,3-dicarboxylic acid
SMILESCc1cc(C(=O)O)c(N2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C14H17NO4/c1-9-7-10(13(16)17)12(11(8-9)14(18)19)15-5-3-2-4-6-15/h7-8H,2-6H2,1H3,(H,16,17)(H,18,19)
InChIKeySJLJWXHNYREQOK-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.38
Rot. Bonds3

About 5-methyl-2-piperidin-1-ylbenzene-1,3-dicarboxylic acid

5-methyl-2-piperidin-1-ylbenzene-1,3-dicarboxylic acid (PubChem CID 174667046) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-methyl-2-piperidin-1-ylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-methyl-2-piperidin-1-ylbenzene-1,3-dicarboxylic acid
PubChem CID174667046
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name5-methyl-2-piperidin-1-ylbenzene-1,3-dicarboxylic acid
SMILESCc1cc(C(=O)O)c(N2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C14H17NO4/c1-9-7-10(13(16)17)12(11(8-9)14(18)19)15-5-3-2-4-6-15/h7-8H,2-6H2,1H3,(H,16,17)(H,18,19)
InChIKeySJLJWXHNYREQOK-UHFFFAOYSA-N
XLogP2.38
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperidin-1-ylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 5-methyl-2-piperidin-1-ylbenzene-1,3-dicarboxylic acid (CID 174667046) is 5-methyl-2-piperidin-1-ylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-methyl-2-piperidin-1-ylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-methyl-2-piperidin-1-ylbenzene-1,3-dicarboxylic acid is Cc1cc(C(=O)O)c(N2CCCCC2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-piperidin-1-ylbenzene-1,3-dicarboxylic acid?
The InChIKey is SJLJWXHNYREQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-7-10(13(16)17)12(11(8-9)14(18)19)15-5-3-2-4-6-15/h7-8H,2-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-methyl-2-piperidin-1-ylbenzene-1,3-dicarboxylic acid?
5-methyl-2-piperidin-1-ylbenzene-1,3-dicarboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperidin-1-ylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 174667046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).