4-[5-(4-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylic acid

C16H16FN3O2 — CID 22646691

IUPAC4-[5-(4-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C16H16FN3O2/c17-14-4-1-12(2-5-14)13-3-6-15(18-11-13)19-7-9-20(10-8-19)16(21)22/h1-6,11H,7-10H2,(H,21,22)
InChIKeyBYWGZBNMAFZXOB-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.69
Rot. Bonds2

About 4-[5-(4-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylic acid

4-[5-(4-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 22646691) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylic acid
PubChem CID22646691
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name4-[5-(4-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1
InChIInChI=1S/C16H16FN3O2/c17-14-4-1-12(2-5-14)13-3-6-15(18-11-13)19-7-9-20(10-8-19)16(21)22/h1-6,11H,7-10H2,(H,21,22)
InChIKeyBYWGZBNMAFZXOB-UHFFFAOYSA-N
XLogP2.69
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylic acid (CID 22646691) is 4-[5-(4-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is BYWGZBNMAFZXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-14-4-1-12(2-5-14)13-3-6-15(18-11-13)19-7-9-20(10-8-19)16(21)22/h1-6,11H,7-10H2,(H,21,22).
What are the key properties of 4-[5-(4-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylic acid?
4-[5-(4-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 301.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 22646691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).