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

C15H17ClFN3O — CID 70607093

IUPAC1-[5-(2-fluorophenoxy)-2-pyridinyl]piperazine;hydrochloride
SMILESCl.Fc1ccccc1Oc1ccc(N2CCNCC2)nc1
InChIInChI=1S/C15H16FN3O.ClH/c16-13-3-1-2-4-14(13)20-12-5-6-15(18-11-12)19-9-7-17-8-10-19;/h1-6,11,17H,7-10H2;1H
InChIKeyDDCXFWMESXPNLU-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.84
Rot. Bonds3

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

1-[5-(2-fluorophenoxy)-2-pyridinyl]piperazine;hydrochloride (PubChem CID 70607093) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is 1-[5-(2-fluorophenoxy)-2-pyridinyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[5-(2-fluorophenoxy)-2-pyridinyl]piperazine;hydrochloride
PubChem CID70607093
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name1-[5-(2-fluorophenoxy)-2-pyridinyl]piperazine;hydrochloride
SMILESCl.Fc1ccccc1Oc1ccc(N2CCNCC2)nc1
InChIInChI=1S/C15H16FN3O.ClH/c16-13-3-1-2-4-14(13)20-12-5-6-15(18-11-12)19-9-7-17-8-10-19;/h1-6,11,17H,7-10H2;1H
InChIKeyDDCXFWMESXPNLU-UHFFFAOYSA-N
XLogP2.84
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluorophenoxy)-2-pyridinyl]piperazine;hydrochloride?
The IUPAC name of 1-[5-(2-fluorophenoxy)-2-pyridinyl]piperazine;hydrochloride (CID 70607093) is 1-[5-(2-fluorophenoxy)-2-pyridinyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[5-(2-fluorophenoxy)-2-pyridinyl]piperazine;hydrochloride?
The canonical SMILES for 1-[5-(2-fluorophenoxy)-2-pyridinyl]piperazine;hydrochloride is Cl.Fc1ccccc1Oc1ccc(N2CCNCC2)nc1.
What is the InChIKey of 1-[5-(2-fluorophenoxy)-2-pyridinyl]piperazine;hydrochloride?
The InChIKey is DDCXFWMESXPNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O.ClH/c16-13-3-1-2-4-14(13)20-12-5-6-15(18-11-12)19-9-7-17-8-10-19;/h1-6,11,17H,7-10H2;1H.
What are the key properties of 1-[5-(2-fluorophenoxy)-2-pyridinyl]piperazine;hydrochloride?
1-[5-(2-fluorophenoxy)-2-pyridinyl]piperazine;hydrochloride has a molecular weight of 309.77 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluorophenoxy)-2-pyridinyl]piperazine;hydrochloride is sourced from PubChem (CID 70607093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).