4-phenylpiperazine-1-carboxylic acid

C11H14N2O2 — CID 22047957

IUPAC4-phenylpiperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C11H14N2O2/c14-11(15)13-8-6-12(7-9-13)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)
InChIKeyAEDANDOCUNOLBS-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.49
Rot. Bonds1

About 4-phenylpiperazine-1-carboxylic acid

4-phenylpiperazine-1-carboxylic acid (PubChem CID 22047957) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-phenylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-phenylpiperazine-1-carboxylic acid
PubChem CID22047957
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-phenylpiperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C11H14N2O2/c14-11(15)13-8-6-12(7-9-13)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15)
InChIKeyAEDANDOCUNOLBS-UHFFFAOYSA-N
XLogP1.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylpiperazine-1-carboxylic acid?
The IUPAC name of 4-phenylpiperazine-1-carboxylic acid (CID 22047957) is 4-phenylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-phenylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-phenylpiperazine-1-carboxylic acid is O=C(O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-phenylpiperazine-1-carboxylic acid?
The InChIKey is AEDANDOCUNOLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-11(15)13-8-6-12(7-9-13)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,15).
What are the key properties of 4-phenylpiperazine-1-carboxylic acid?
4-phenylpiperazine-1-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylpiperazine-1-carboxylic acid is sourced from PubChem (CID 22047957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).