4-piperidin-1-ylbenzoic acid

C12H15NO2 — CID 764599

IUPAC4-piperidin-1-ylbenzoic acid
SMILESO=C(O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C12H15NO2/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,14,15)
InChIKeyDGJNUESQBVPXAY-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.38
Rot. Bonds2

About 4-piperidin-1-ylbenzoic acid

4-piperidin-1-ylbenzoic acid (PubChem CID 764599) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-piperidin-1-ylbenzoic acid.

Molecular Properties

Compound Name4-piperidin-1-ylbenzoic acid
PubChem CID764599
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-piperidin-1-ylbenzoic acid
SMILESO=C(O)c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C12H15NO2/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,14,15)
InChIKeyDGJNUESQBVPXAY-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 4-piperidin-1-ylbenzoic acid?
The IUPAC name of 4-piperidin-1-ylbenzoic acid (CID 764599) is 4-piperidin-1-ylbenzoic acid.
What is the SMILES notation for 4-piperidin-1-ylbenzoic acid?
The canonical SMILES for 4-piperidin-1-ylbenzoic acid is O=C(O)c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 4-piperidin-1-ylbenzoic acid?
The InChIKey is DGJNUESQBVPXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(15)10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,14,15).
What are the key properties of 4-piperidin-1-ylbenzoic acid?
4-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 4-piperidin-1-ylbenzoic acid is sourced from PubChem (CID 764599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).