2-chloro-4-(2-piperidin-1-ylethoxy)benzoic acid

C14H18ClNO3 — CID 18461166

IUPAC2-chloro-4-(2-piperidin-1-ylethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCCN2CCCCC2)cc1Cl
InChIInChI=1S/C14H18ClNO3/c15-13-10-11(4-5-12(13)14(17)18)19-9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9H2,(H,17,18)
InChIKeyLYGSPXQOVXTQHV-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.90
Rot. Bonds5

About 2-chloro-4-(2-piperidin-1-ylethoxy)benzoic acid

2-chloro-4-(2-piperidin-1-ylethoxy)benzoic acid (PubChem CID 18461166) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-chloro-4-(2-piperidin-1-ylethoxy)benzoic acid.

Molecular Properties

Compound Name2-chloro-4-(2-piperidin-1-ylethoxy)benzoic acid
PubChem CID18461166
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-chloro-4-(2-piperidin-1-ylethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCCN2CCCCC2)cc1Cl
InChIInChI=1S/C14H18ClNO3/c15-13-10-11(4-5-12(13)14(17)18)19-9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9H2,(H,17,18)
InChIKeyLYGSPXQOVXTQHV-UHFFFAOYSA-N
XLogP2.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-(2-piperidin-1-ylethoxy)benzoic 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 2-chloro-4-(2-piperidin-1-ylethoxy)benzoic acid?
The IUPAC name of 2-chloro-4-(2-piperidin-1-ylethoxy)benzoic acid (CID 18461166) is 2-chloro-4-(2-piperidin-1-ylethoxy)benzoic acid.
What is the SMILES notation for 2-chloro-4-(2-piperidin-1-ylethoxy)benzoic acid?
The canonical SMILES for 2-chloro-4-(2-piperidin-1-ylethoxy)benzoic acid is O=C(O)c1ccc(OCCN2CCCCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(2-piperidin-1-ylethoxy)benzoic acid?
The InChIKey is LYGSPXQOVXTQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c15-13-10-11(4-5-12(13)14(17)18)19-9-8-16-6-2-1-3-7-16/h4-5,10H,1-3,6-9H2,(H,17,18).
What are the key properties of 2-chloro-4-(2-piperidin-1-ylethoxy)benzoic acid?
2-chloro-4-(2-piperidin-1-ylethoxy)benzoic acid has a molecular weight of 283.75 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-piperidin-1-ylethoxy)benzoic acid is sourced from PubChem (CID 18461166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).