4-methoxy-3-piperidin-4-yloxybenzoic acid

C13H17NO4 — CID 117053793

IUPAC4-methoxy-3-piperidin-4-yloxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1OC1CCNCC1
InChIInChI=1S/C13H17NO4/c1-17-11-3-2-9(13(15)16)8-12(11)18-10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3,(H,15,16)
InChIKeyVFTFIYDXGIHHHK-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.52
Rot. Bonds4

About 4-methoxy-3-piperidin-4-yloxybenzoic acid

4-methoxy-3-piperidin-4-yloxybenzoic acid (PubChem CID 117053793) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-methoxy-3-piperidin-4-yloxybenzoic acid.

Molecular Properties

Compound Name4-methoxy-3-piperidin-4-yloxybenzoic acid
PubChem CID117053793
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name4-methoxy-3-piperidin-4-yloxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1OC1CCNCC1
InChIInChI=1S/C13H17NO4/c1-17-11-3-2-9(13(15)16)8-12(11)18-10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3,(H,15,16)
InChIKeyVFTFIYDXGIHHHK-UHFFFAOYSA-N
XLogP1.52
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(piperidin-4-ylmethoxy)benzoic acid
CID 117053831
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid
CID 117053796
3-(1,1-dioxothietan-3-yl)oxy-4-methoxybenzoic acid
CID 117433322
3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid
CID 117053439
3-(1,1-dioxothiolan-3-yl)oxy-4-methoxybenzoic acid
CID 54914559
3-methoxy-4-(oxan-4-yloxy)benzoic acid
CID 63935592
3-methoxy-4-(thian-4-yloxy)benzoic acid
CID 117424675
4-methoxy-3-(2-oxopyrrolidin-3-yl)oxybenzoic acid
CID 117053782
4-(2-methoxy-5-methylphenoxy)piperidine;hydrochloride
CID 118993415
4-methoxy-3-(1-methylpiperidin-3-yl)oxybenzoic acid
CID 117417074
3,4-dimethoxybenzoic acid;methanol
CID 144580050
3-amino-4-pyrrolidin-3-yloxybenzoic acid
CID 117095811

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-piperidin-4-yloxybenzoic acid?
The IUPAC name of 4-methoxy-3-piperidin-4-yloxybenzoic acid (CID 117053793) is 4-methoxy-3-piperidin-4-yloxybenzoic acid.
What is the SMILES notation for 4-methoxy-3-piperidin-4-yloxybenzoic acid?
The canonical SMILES for 4-methoxy-3-piperidin-4-yloxybenzoic acid is COc1ccc(C(=O)O)cc1OC1CCNCC1.
What is the InChIKey of 4-methoxy-3-piperidin-4-yloxybenzoic acid?
The InChIKey is VFTFIYDXGIHHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-17-11-3-2-9(13(15)16)8-12(11)18-10-4-6-14-7-5-10/h2-3,8,10,14H,4-7H2,1H3,(H,15,16).
What are the key properties of 4-methoxy-3-piperidin-4-yloxybenzoic acid?
4-methoxy-3-piperidin-4-yloxybenzoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-piperidin-4-yloxybenzoic acid is sourced from PubChem (CID 117053793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).