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

C13H17NO3 — CID 18617828

IUPAC4-(1-methylpiperidin-4-yl)oxybenzoic acid
SMILESCN1CCC(Oc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C13H17NO3/c1-14-8-6-12(7-9-14)17-11-4-2-10(3-5-11)13(15)16/h2-5,12H,6-9H2,1H3,(H,15,16)
InChIKeyYBVIJDLPKKTZBO-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.86
Rot. Bonds3

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

4-(1-methylpiperidin-4-yl)oxybenzoic acid (PubChem CID 18617828) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)oxybenzoic acid
PubChem CID18617828
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(1-methylpiperidin-4-yl)oxybenzoic acid
SMILESCN1CCC(Oc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C13H17NO3/c1-14-8-6-12(7-9-14)17-11-4-2-10(3-5-11)13(15)16/h2-5,12H,6-9H2,1H3,(H,15,16)
InChIKeyYBVIJDLPKKTZBO-UHFFFAOYSA-N
XLogP1.86
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-methylpiperidin-4-yl)oxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)oxybenzoic acid?
The IUPAC name of 4-(1-methylpiperidin-4-yl)oxybenzoic acid (CID 18617828) is 4-(1-methylpiperidin-4-yl)oxybenzoic acid.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)oxybenzoic acid?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)oxybenzoic acid is CN1CCC(Oc2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)oxybenzoic acid?
The InChIKey is YBVIJDLPKKTZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-14-8-6-12(7-9-14)17-11-4-2-10(3-5-11)13(15)16/h2-5,12H,6-9H2,1H3,(H,15,16).
What are the key properties of 4-(1-methylpiperidin-4-yl)oxybenzoic acid?
4-(1-methylpiperidin-4-yl)oxybenzoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)oxybenzoic acid is sourced from PubChem (CID 18617828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).