2-piperidin-1-ylbenzoic acid

C12H15NO2 — CID 737325

IUPAC2-piperidin-1-ylbenzoic acid
SMILESO=C(O)c1ccccc1N1CCCCC1
InChIInChI=1S/C12H15NO2/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2,(H,14,15)
InChIKeyTVEAZHOLMPKUGM-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.38
Rot. Bonds2

About 2-piperidin-1-ylbenzoic acid

2-piperidin-1-ylbenzoic acid (PubChem CID 737325) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-piperidin-1-ylbenzoic acid.

Molecular Properties

Compound Name2-piperidin-1-ylbenzoic acid
PubChem CID737325
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-piperidin-1-ylbenzoic acid
SMILESO=C(O)c1ccccc1N1CCCCC1
InChIInChI=1S/C12H15NO2/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2,(H,14,15)
InChIKeyTVEAZHOLMPKUGM-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-piperidin-1-ylbenzoic 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-piperidin-1-ylbenzoic acid?
The IUPAC name of 2-piperidin-1-ylbenzoic acid (CID 737325) is 2-piperidin-1-ylbenzoic acid.
What is the SMILES notation for 2-piperidin-1-ylbenzoic acid?
The canonical SMILES for 2-piperidin-1-ylbenzoic acid is O=C(O)c1ccccc1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylbenzoic acid?
The InChIKey is TVEAZHOLMPKUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(15)10-6-2-3-7-11(10)13-8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-9H2,(H,14,15).
What are the key properties of 2-piperidin-1-ylbenzoic acid?
2-piperidin-1-ylbenzoic acid has a molecular weight of 205.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylbenzoic acid is sourced from PubChem (CID 737325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).