1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride

C15H17ClFN3 — CID 23133533

IUPAC1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(-c2ccc(N3CCNCC3)nc2)cc1
InChIInChI=1S/C15H16FN3.ClH/c16-14-4-1-12(2-5-14)13-3-6-15(18-11-13)19-9-7-17-8-10-19;/h1-6,11,17H,7-10H2;1H
InChIKeyZSZJGZFGYAJPET-UHFFFAOYSA-N
MW293.77 g/mol
LogP2.72
Rot. Bonds2

About 1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride

1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride (PubChem CID 23133533) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
PubChem CID23133533
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC Name1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(-c2ccc(N3CCNCC3)nc2)cc1
InChIInChI=1S/C15H16FN3.ClH/c16-14-4-1-12(2-5-14)13-3-6-15(18-11-13)19-9-7-17-8-10-19;/h1-6,11,17H,7-10H2;1H
InChIKeyZSZJGZFGYAJPET-UHFFFAOYSA-N
XLogP2.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride?
The IUPAC name of 1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride (CID 23133533) is 1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride?
The canonical SMILES for 1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride is Cl.Fc1ccc(-c2ccc(N3CCNCC3)nc2)cc1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride?
The InChIKey is ZSZJGZFGYAJPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3.ClH/c16-14-4-1-12(2-5-14)13-3-6-15(18-11-13)19-9-7-17-8-10-19;/h1-6,11,17H,7-10H2;1H.
What are the key properties of 1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride?
1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride has a molecular weight of 293.77 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-2-pyridinyl]piperazine;hydrochloride is sourced from PubChem (CID 23133533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).