4-piperidin-4-ylbenzoic acid

C12H15NO2 — CID 18002462

IUPAC4-piperidin-4-ylbenzoic acid
SMILESO=C(O)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C12H15NO2/c14-12(15)11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2,(H,14,15)
InChIKeyXDCLOVOOEKUJBK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.85
Rot. Bonds2

About 4-piperidin-4-ylbenzoic acid

4-piperidin-4-ylbenzoic acid (PubChem CID 18002462) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-piperidin-4-ylbenzoic acid.

Molecular Properties

Compound Name4-piperidin-4-ylbenzoic acid
PubChem CID18002462
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-piperidin-4-ylbenzoic acid
SMILESO=C(O)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C12H15NO2/c14-12(15)11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2,(H,14,15)
InChIKeyXDCLOVOOEKUJBK-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-ylbenzoic acid?
The IUPAC name of 4-piperidin-4-ylbenzoic acid (CID 18002462) is 4-piperidin-4-ylbenzoic acid.
What is the SMILES notation for 4-piperidin-4-ylbenzoic acid?
The canonical SMILES for 4-piperidin-4-ylbenzoic acid is O=C(O)c1ccc(C2CCNCC2)cc1.
What is the InChIKey of 4-piperidin-4-ylbenzoic acid?
The InChIKey is XDCLOVOOEKUJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(15)11-3-1-9(2-4-11)10-5-7-13-8-6-10/h1-4,10,13H,5-8H2,(H,14,15).
What are the key properties of 4-piperidin-4-ylbenzoic acid?
4-piperidin-4-ylbenzoic acid has a molecular weight of 205.26 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-ylbenzoic acid is sourced from PubChem (CID 18002462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).