4-(3-phenylphenyl)piperazine-1-carboxylic acid

C17H18N2O2 — CID 69366548

IUPAC4-(3-phenylphenyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C17H18N2O2/c20-17(21)19-11-9-18(10-12-19)16-8-4-7-15(13-16)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,21)
InChIKeyABDYMYHOTHYZKG-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.15
Rot. Bonds2

About 4-(3-phenylphenyl)piperazine-1-carboxylic acid

4-(3-phenylphenyl)piperazine-1-carboxylic acid (PubChem CID 69366548) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-(3-phenylphenyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-phenylphenyl)piperazine-1-carboxylic acid
PubChem CID69366548
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-(3-phenylphenyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C17H18N2O2/c20-17(21)19-11-9-18(10-12-19)16-8-4-7-15(13-16)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,21)
InChIKeyABDYMYHOTHYZKG-UHFFFAOYSA-N
XLogP3.15
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]piperazine-1-carboxylic acid
CID 67608931
4-(3-phenylphenyl)piperidine-1-carboxylic acid
CID 151080045
4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 68644218
4-[3-(3-methyl-2-oxo-1,3-dihydropyrrolo[2,3-b]pyridin-4-yl)phenyl]piperazine-1-carboxylic acid
CID 170694000
4-(4-formyl-2-phenylphenyl)piperazine-1-carboxylic acid
CID 130303112
(2-nitro-4-phenylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 151936086
4-[4-(3-methylphenyl)piperazine-1-carbonyl]piperazine-1-carbaldehyde
CID 108988584
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetyl]piperazine-1-carbaldehyde
CID 108530906
4-quinolin-3-ylpiperazine-1-carboxylic acid
CID 69402111
4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde
CID 108530923
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
CID 39073649

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylphenyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(3-phenylphenyl)piperazine-1-carboxylic acid (CID 69366548) is 4-(3-phenylphenyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(3-phenylphenyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(3-phenylphenyl)piperazine-1-carboxylic acid is O=C(O)N1CCN(c2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of 4-(3-phenylphenyl)piperazine-1-carboxylic acid?
The InChIKey is ABDYMYHOTHYZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17(21)19-11-9-18(10-12-19)16-8-4-7-15(13-16)14-5-2-1-3-6-14/h1-8,13H,9-12H2,(H,20,21).
What are the key properties of 4-(3-phenylphenyl)piperazine-1-carboxylic acid?
4-(3-phenylphenyl)piperazine-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylphenyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 69366548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).