4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid

C15H21NO4 — CID 22687707

IUPAC4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
SMILESCOc1ccc(C(=O)O)c(OCCN2CCCCC2)c1
InChIInChI=1S/C15H21NO4/c1-19-12-5-6-13(15(17)18)14(11-12)20-10-9-16-7-3-2-4-8-16/h5-6,11H,2-4,7-10H2,1H3,(H,17,18)
InChIKeyIGBQVPBIRVWNBA-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.26
Rot. Bonds6

About 4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid

4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid (PubChem CID 22687707) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
PubChem CID22687707
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid
SMILESCOc1ccc(C(=O)O)c(OCCN2CCCCC2)c1
InChIInChI=1S/C15H21NO4/c1-19-12-5-6-13(15(17)18)14(11-12)20-10-9-16-7-3-2-4-8-16/h5-6,11H,2-4,7-10H2,1H3,(H,17,18)
InChIKeyIGBQVPBIRVWNBA-UHFFFAOYSA-N
XLogP2.26
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-piperidin-1-ylethyl 2,4-dimethoxybenzoate
CID 838965
2-[2-(2,5-dioxopyrrolidin-1-yl)ethoxy]-4-methoxybenzoic acid
CID 61379508
1-[4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 82886096
4-methoxy-2-(2-piperidin-1-ylethoxy)benzaldehyde
CID 22685969
(Z)-3-[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]-2-phenylprop-2-enoic acid
CID 20993089
2-(4-methoxyphenyl)-3-[4-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]propanoic acid
CID 22682509
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
[5-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanamine
CID 60879649
1-[4-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanone
CID 82971448
2-(3-amino-3-oxopropoxy)-4-methoxybenzoic acid
CID 60712906
4-methyl-2-[2-(4-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 82889522
2,4-dimethoxybenzoic acid
CID 67450326

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid?
The IUPAC name of 4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid (CID 22687707) is 4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid.
What is the SMILES notation for 4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid?
The canonical SMILES for 4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid is COc1ccc(C(=O)O)c(OCCN2CCCCC2)c1.
What is the InChIKey of 4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid?
The InChIKey is IGBQVPBIRVWNBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-19-12-5-6-13(15(17)18)14(11-12)20-10-9-16-7-3-2-4-8-16/h5-6,11H,2-4,7-10H2,1H3,(H,17,18).
What are the key properties of 4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid?
4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-piperidin-1-ylethoxy)benzoic acid is sourced from PubChem (CID 22687707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).