4-phenylbenzoic acid;piperidine

C18H21NO2 — CID 67667753

IUPAC4-phenylbenzoic acid;piperidine
SMILESC1CCNCC1.O=C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10O2.C5H11N/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2-4-6-5-3-1/h1-9H,(H,14,15);6H,1-5H2
InChIKeyXZACCMTUJVOPCH-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.81
Rot. Bonds2

About 4-phenylbenzoic acid;piperidine

4-phenylbenzoic acid;piperidine (PubChem CID 67667753) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-phenylbenzoic acid;piperidine.

Molecular Properties

Compound Name4-phenylbenzoic acid;piperidine
PubChem CID67667753
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-phenylbenzoic acid;piperidine
SMILESC1CCNCC1.O=C(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10O2.C5H11N/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2-4-6-5-3-1/h1-9H,(H,14,15);6H,1-5H2
InChIKeyXZACCMTUJVOPCH-UHFFFAOYSA-N
XLogP3.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-phenylbenzoic acid;piperidine 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 4-phenylbenzoic acid;piperidine?
The IUPAC name of 4-phenylbenzoic acid;piperidine (CID 67667753) is 4-phenylbenzoic acid;piperidine.
What is the SMILES notation for 4-phenylbenzoic acid;piperidine?
The canonical SMILES for 4-phenylbenzoic acid;piperidine is C1CCNCC1.O=C(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenylbenzoic acid;piperidine?
The InChIKey is XZACCMTUJVOPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2.C5H11N/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;1-2-4-6-5-3-1/h1-9H,(H,14,15);6H,1-5H2.
What are the key properties of 4-phenylbenzoic acid;piperidine?
4-phenylbenzoic acid;piperidine has a molecular weight of 283.37 g/mol, XLogP of 3.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylbenzoic acid;piperidine is sourced from PubChem (CID 67667753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).