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

C14H19NO4 — CID 117053439

IUPAC3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid
SMILESCOc1cc(C(=O)O)ccc1OCC1CCNCC1
InChIInChI=1S/C14H19NO4/c1-18-13-8-11(14(16)17)2-3-12(13)19-9-10-4-6-15-7-5-10/h2-3,8,10,15H,4-7,9H2,1H3,(H,16,17)
InChIKeyRYWAEZTYYFKKFF-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.77
Rot. Bonds5

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

3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid (PubChem CID 117053439) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid
PubChem CID117053439
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid
SMILESCOc1cc(C(=O)O)ccc1OCC1CCNCC1
InChIInChI=1S/C14H19NO4/c1-18-13-8-11(14(16)17)2-3-12(13)19-9-10-4-6-15-7-5-10/h2-3,8,10,15H,4-7,9H2,1H3,(H,16,17)
InChIKeyRYWAEZTYYFKKFF-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
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid
CID 117053837
4-methoxy-3-piperidin-4-yloxybenzoic acid
CID 117053793
4-[(2-methoxyphenoxy)methyl]piperidine
CID 22248030
methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate
CID 117053759
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
4-(hydroxymethoxy)-3-methoxybenzoic acid
CID 142628335
3,4-dimethoxybenzoic acid;methanol
CID 144580050
3-(cyclobutylmethoxy)-4-methylbenzoic acid
CID 65458690
N-[amino-(4-ethoxy-3-methoxyphenyl)methylidene]piperidine-4-carboxamide
CID 142338278

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid?
The IUPAC name of 3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid (CID 117053439) is 3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid.
What is the SMILES notation for 3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid?
The canonical SMILES for 3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid is COc1cc(C(=O)O)ccc1OCC1CCNCC1.
What is the InChIKey of 3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid?
The InChIKey is RYWAEZTYYFKKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-13-8-11(14(16)17)2-3-12(13)19-9-10-4-6-15-7-5-10/h2-3,8,10,15H,4-7,9H2,1H3,(H,16,17).
What are the key properties of 3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid?
3-methoxy-4-(piperidin-4-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 3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid is sourced from PubChem (CID 117053439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).