4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid

C14H19NO4 — CID 117417074

IUPAC4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1OC1CCCN(C)C1
InChIInChI=1S/C14H19NO4/c1-15-7-3-4-11(9-15)19-13-8-10(14(16)17)5-6-12(13)18-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,17)
InChIKeyXHQUEMSCBGYSSL-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.87
Rot. Bonds4

About 4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid

4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid (PubChem CID 117417074) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid
PubChem CID117417074
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1OC1CCCN(C)C1
InChIInChI=1S/C14H19NO4/c1-15-7-3-4-11(9-15)19-13-8-10(14(16)17)5-6-12(13)18-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,17)
InChIKeyXHQUEMSCBGYSSL-UHFFFAOYSA-N
XLogP1.87
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-1-methylpiperidin-3-yl] 3,4-dimethoxybenzoate
CID 905590
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117473467
3-amino-3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propanoic acid
CID 117493374
3-chloro-4-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 115005380
3-(1,1-dioxothietan-3-yl)oxy-4-methoxybenzoic acid
CID 117433322
3-(1,1-dioxothiolan-3-yl)oxy-4-methoxybenzoic acid
CID 54914559
2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-2-oxoacetic acid
CID 117473278
2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]propanoic acid
CID 117447790
4-methoxy-3-piperidin-4-yloxybenzoic acid
CID 117053793
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol
CID 117448362
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid
CID 117053796
3-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]-2,2-dimethylpropanoic acid
CID 117492369

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid?
The IUPAC name of 4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid (CID 117417074) is 4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid.
What is the SMILES notation for 4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid?
The canonical SMILES for 4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid is COc1ccc(C(=O)O)cc1OC1CCCN(C)C1.
What is the InChIKey of 4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid?
The InChIKey is XHQUEMSCBGYSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-15-7-3-4-11(9-15)19-13-8-10(14(16)17)5-6-12(13)18-2/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,16,17).
What are the key properties of 4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid?
4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid is sourced from PubChem (CID 117417074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).