4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid

C16H17N3O2 — CID 68644218

IUPAC4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C16H17N3O2/c20-16(21)19-10-8-18(9-11-19)15-7-6-14(12-17-15)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,20,21)
InChIKeyWVUCSYRNMCPQIN-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.55
Rot. Bonds2

About 4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid

4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid (PubChem CID 68644218) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid
PubChem CID68644218
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccc(-c3ccccc3)cn2)CC1
InChIInChI=1S/C16H17N3O2/c20-16(21)19-10-8-18(9-11-19)15-7-6-14(12-17-15)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,20,21)
InChIKeyWVUCSYRNMCPQIN-UHFFFAOYSA-N
XLogP2.55
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid (CID 68644218) is 4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid is O=C(O)N1CCN(c2ccc(-c3ccccc3)cn2)CC1.
What is the InChIKey of 4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid?
The InChIKey is WVUCSYRNMCPQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16(21)19-10-8-18(9-11-19)15-7-6-14(12-17-15)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,20,21).
What are the key properties of 4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid?
4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid has a molecular weight of 283.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 68644218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).