4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid

C14H19NO4 — CID 117053837

IUPAC4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1OCC1CCCNC1
InChIInChI=1S/C14H19NO4/c1-18-12-5-4-11(14(16)17)7-13(12)19-9-10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8-9H2,1H3,(H,16,17)
InChIKeyBYNHFUPMUPMFMQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.77
Rot. Bonds5

About 4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid

4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid (PubChem CID 117053837) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid
PubChem CID117053837
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1OCC1CCCNC1
InChIInChI=1S/C14H19NO4/c1-18-12-5-4-11(14(16)17)7-13(12)19-9-10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8-9H2,1H3,(H,16,17)
InChIKeyBYNHFUPMUPMFMQ-UHFFFAOYSA-N
XLogP1.77
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(piperidin-4-ylmethoxy)benzoic acid
CID 117053831
methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate
CID 117053759
3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid
CID 117053439
3-bromo-4-(piperidin-3-ylmethoxy)benzamide
CID 82801075
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
4-ethoxy-3-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 119461700
(3S)-3-[[4-chloro-2-(4-chloro-2-methoxyphenoxy)phenoxy]methyl]piperidine
CID 24774733
2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 67303342
4-methoxy-3-[(2-piperidin-3-ylacetyl)amino]benzamide
CID 62674715
4-methoxy-3-piperidin-4-yloxybenzoic acid
CID 117053793
(E)-but-2-enedioic acid;(3S)-3-[[2-(4-chloro-2-methoxyphenoxy)-4-fluorophenoxy]methyl]piperidine
CID 158543944

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid?
The IUPAC name of 4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid (CID 117053837) is 4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid?
The canonical SMILES for 4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid is COc1ccc(C(=O)O)cc1OCC1CCCNC1.
What is the InChIKey of 4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid?
The InChIKey is BYNHFUPMUPMFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-12-5-4-11(14(16)17)7-13(12)19-9-10-3-2-6-15-8-10/h4-5,7,10,15H,2-3,6,8-9H2,1H3,(H,16,17).
What are the key properties of 4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid?
4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid is sourced from PubChem (CID 117053837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).