1-(3,5-dichloro-4-pyridinyl)piperazine

C9H11Cl2N3 — CID 2799984

IUPAC1-(3,5-dichloro-4-pyridinyl)piperazine
SMILESClc1cncc(Cl)c1N1CCNCC1
InChIInChI=1S/C9H11Cl2N3/c10-7-5-13-6-8(11)9(7)14-3-1-12-2-4-14/h5-6,12H,1-4H2
InChIKeyGPCFTLKHUONISF-UHFFFAOYSA-N
MW232.11 g/mol
LogP1.80
Rot. Bonds1

About 1-(3,5-dichloro-4-pyridinyl)piperazine

1-(3,5-dichloro-4-pyridinyl)piperazine (PubChem CID 2799984) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(3,5-dichloro-4-pyridinyl)piperazine
PubChem CID2799984
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name1-(3,5-dichloro-4-pyridinyl)piperazine
SMILESClc1cncc(Cl)c1N1CCNCC1
InChIInChI=1S/C9H11Cl2N3/c10-7-5-13-6-8(11)9(7)14-3-1-12-2-4-14/h5-6,12H,1-4H2
InChIKeyGPCFTLKHUONISF-UHFFFAOYSA-N
XLogP1.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-pyridinyl)piperazine?
The IUPAC name of 1-(3,5-dichloro-4-pyridinyl)piperazine (CID 2799984) is 1-(3,5-dichloro-4-pyridinyl)piperazine.
What is the SMILES notation for 1-(3,5-dichloro-4-pyridinyl)piperazine?
The canonical SMILES for 1-(3,5-dichloro-4-pyridinyl)piperazine is Clc1cncc(Cl)c1N1CCNCC1.
What is the InChIKey of 1-(3,5-dichloro-4-pyridinyl)piperazine?
The InChIKey is GPCFTLKHUONISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3/c10-7-5-13-6-8(11)9(7)14-3-1-12-2-4-14/h5-6,12H,1-4H2.
What are the key properties of 1-(3,5-dichloro-4-pyridinyl)piperazine?
1-(3,5-dichloro-4-pyridinyl)piperazine has a molecular weight of 232.11 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-pyridinyl)piperazine is sourced from PubChem (CID 2799984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).