6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid

C16H17N3O2 — CID 23432931

IUPAC6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C16H17N3O2/c20-16(21)13-6-7-15(17-12-13)19-10-8-18(9-11-19)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,20,21)
InChIKeyOPDOJHSDVGBSNC-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.11
Rot. Bonds3

About 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid

6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid (PubChem CID 23432931) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
PubChem CID23432931
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C16H17N3O2/c20-16(21)13-6-7-15(17-12-13)19-10-8-18(9-11-19)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,20,21)
InChIKeyOPDOJHSDVGBSNC-UHFFFAOYSA-N
XLogP2.11
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid (CID 23432931) is 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is OPDOJHSDVGBSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16(21)13-6-7-15(17-12-13)19-10-8-18(9-11-19)14-4-2-1-3-5-14/h1-7,12H,8-11H2,(H,20,21).
What are the key properties of 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid?
6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylpiperazin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 23432931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).