5-methoxy-2-piperidin-1-ylbenzoic acid

C13H17NO3 — CID 70528238

IUPAC5-methoxy-2-piperidin-1-ylbenzoic acid
SMILESCOc1ccc(N2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C13H17NO3/c1-17-10-5-6-12(11(9-10)13(15)16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyZQEWAKSVSODFQG-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.38
Rot. Bonds3

About 5-methoxy-2-piperidin-1-ylbenzoic acid

5-methoxy-2-piperidin-1-ylbenzoic acid (PubChem CID 70528238) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 5-methoxy-2-piperidin-1-ylbenzoic acid.

Molecular Properties

Compound Name5-methoxy-2-piperidin-1-ylbenzoic acid
PubChem CID70528238
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name5-methoxy-2-piperidin-1-ylbenzoic acid
SMILESCOc1ccc(N2CCCCC2)c(C(=O)O)c1
InChIInChI=1S/C13H17NO3/c1-17-10-5-6-12(11(9-10)13(15)16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyZQEWAKSVSODFQG-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(5-methoxy-2-piperidin-1-ylphenyl)ethanone
CID 117338408
5-methoxy-2-(4-methylpiperidin-1-yl)benzoic acid
CID 113305090
1-(5-methoxy-2-pyrrolidin-1-ylphenyl)-2-(methylamino)ethanone
CID 117374092
2-(azepan-1-yl)-5-hydroxybenzoic acid
CID 12784733
5-methoxy-2-(2-oxopiperidin-1-yl)benzoic acid
CID 115411659
5-methoxycarbonyl-2-pyrrolidin-1-ylbenzoic acid
CID 168515414
5-methoxy-2-pyrrolidin-1-ylphenol
CID 168512796
5-methoxy-2-(4-methyl-2,6-dioxopiperidin-1-yl)benzoic acid
CID 115411273
2-[1-(5-methoxy-2-piperidin-1-ylphenyl)cyclopropyl]acetic acid
CID 117467602
methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate
CID 117447811
2-(5-methoxy-2-piperidin-1-ylphenyl)ethanol
CID 117343468
4-methoxy-2-(4-methylazepan-1-yl)benzoic acid
CID 81309603

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-piperidin-1-ylbenzoic acid?
The IUPAC name of 5-methoxy-2-piperidin-1-ylbenzoic acid (CID 70528238) is 5-methoxy-2-piperidin-1-ylbenzoic acid.
What is the SMILES notation for 5-methoxy-2-piperidin-1-ylbenzoic acid?
The canonical SMILES for 5-methoxy-2-piperidin-1-ylbenzoic acid is COc1ccc(N2CCCCC2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-piperidin-1-ylbenzoic acid?
The InChIKey is ZQEWAKSVSODFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-17-10-5-6-12(11(9-10)13(15)16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of 5-methoxy-2-piperidin-1-ylbenzoic acid?
5-methoxy-2-piperidin-1-ylbenzoic acid has a molecular weight of 235.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-piperidin-1-ylbenzoic acid is sourced from PubChem (CID 70528238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).