3-piperidin-1-ylbenzoic acid

C12H15NO2 — CID 2795552

IUPAC3-piperidin-1-ylbenzoic acid
SMILESO=C(O)c1cccc(N2CCCCC2)c1
InChIInChI=1S/C12H15NO2/c14-12(15)10-5-4-6-11(9-10)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8H2,(H,14,15)
InChIKeyFLQRORYAJSTYLT-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.38
Rot. Bonds2

About 3-piperidin-1-ylbenzoic acid

3-piperidin-1-ylbenzoic acid (PubChem CID 2795552) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-piperidin-1-ylbenzoic acid.

Molecular Properties

Compound Name3-piperidin-1-ylbenzoic acid
PubChem CID2795552
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-piperidin-1-ylbenzoic acid
SMILESO=C(O)c1cccc(N2CCCCC2)c1
InChIInChI=1S/C12H15NO2/c14-12(15)10-5-4-6-11(9-10)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8H2,(H,14,15)
InChIKeyFLQRORYAJSTYLT-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

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylbenzoic acid?
The IUPAC name of 3-piperidin-1-ylbenzoic acid (CID 2795552) is 3-piperidin-1-ylbenzoic acid.
What is the SMILES notation for 3-piperidin-1-ylbenzoic acid?
The canonical SMILES for 3-piperidin-1-ylbenzoic acid is O=C(O)c1cccc(N2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-ylbenzoic acid?
The InChIKey is FLQRORYAJSTYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(15)10-5-4-6-11(9-10)13-7-2-1-3-8-13/h4-6,9H,1-3,7-8H2,(H,14,15).
What are the key properties of 3-piperidin-1-ylbenzoic acid?
3-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 3-piperidin-1-ylbenzoic acid is sourced from PubChem (CID 2795552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).