1-[2-(2-chlorophenoxy)-3-pyridinyl]piperazine

C15H16ClN3O — CID 46230818

IUPAC1-[2-(2-chlorophenoxy)-3-pyridinyl]piperazine
SMILESClc1ccccc1Oc1ncccc1N1CCNCC1
InChIInChI=1S/C15H16ClN3O/c16-12-4-1-2-6-14(12)20-15-13(5-3-7-18-15)19-10-8-17-9-11-19/h1-7,17H,8-11H2
InChIKeyLVSZWRFDLAUNPF-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.94
Rot. Bonds3

About 1-[2-(2-chlorophenoxy)-3-pyridinyl]piperazine

1-[2-(2-chlorophenoxy)-3-pyridinyl]piperazine (PubChem CID 46230818) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)-3-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)-3-pyridinyl]piperazine
PubChem CID46230818
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name1-[2-(2-chlorophenoxy)-3-pyridinyl]piperazine
SMILESClc1ccccc1Oc1ncccc1N1CCNCC1
InChIInChI=1S/C15H16ClN3O/c16-12-4-1-2-6-14(12)20-15-13(5-3-7-18-15)19-10-8-17-9-11-19/h1-7,17H,8-11H2
InChIKeyLVSZWRFDLAUNPF-UHFFFAOYSA-N
XLogP2.94
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)-3-pyridinyl]piperazine?
The IUPAC name of 1-[2-(2-chlorophenoxy)-3-pyridinyl]piperazine (CID 46230818) is 1-[2-(2-chlorophenoxy)-3-pyridinyl]piperazine.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)-3-pyridinyl]piperazine?
The canonical SMILES for 1-[2-(2-chlorophenoxy)-3-pyridinyl]piperazine is Clc1ccccc1Oc1ncccc1N1CCNCC1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)-3-pyridinyl]piperazine?
The InChIKey is LVSZWRFDLAUNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-12-4-1-2-6-14(12)20-15-13(5-3-7-18-15)19-10-8-17-9-11-19/h1-7,17H,8-11H2.
What are the key properties of 1-[2-(2-chlorophenoxy)-3-pyridinyl]piperazine?
1-[2-(2-chlorophenoxy)-3-pyridinyl]piperazine has a molecular weight of 289.77 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)-3-pyridinyl]piperazine is sourced from PubChem (CID 46230818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).