(2S)-2-(3,5-dichloro-2-pyridinyl)piperazine

C9H11Cl2N3 — CID 131169153

IUPAC(2S)-2-(3,5-dichloro-2-pyridinyl)piperazine
SMILESClc1cnc([C@@H]2CNCCN2)c(Cl)c1
InChIInChI=1S/C9H11Cl2N3/c10-6-3-7(11)9(14-4-6)8-5-12-1-2-13-8/h3-4,8,12-13H,1-2,5H2/t8-/m0/s1
InChIKeyIRPKZGXUEKLWCR-QMMMGPOBSA-N
MW232.11 g/mol
LogP1.62
Rot. Bonds1

About (2S)-2-(3,5-dichloro-2-pyridinyl)piperazine

(2S)-2-(3,5-dichloro-2-pyridinyl)piperazine (PubChem CID 131169153) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is (2S)-2-(3,5-dichloro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name(2S)-2-(3,5-dichloro-2-pyridinyl)piperazine
PubChem CID131169153
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name(2S)-2-(3,5-dichloro-2-pyridinyl)piperazine
SMILESClc1cnc([C@@H]2CNCCN2)c(Cl)c1
InChIInChI=1S/C9H11Cl2N3/c10-6-3-7(11)9(14-4-6)8-5-12-1-2-13-8/h3-4,8,12-13H,1-2,5H2/t8-/m0/s1
InChIKeyIRPKZGXUEKLWCR-QMMMGPOBSA-N
XLogP1.62
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dichloro-2-pyridinyl)piperazine?
The IUPAC name of (2S)-2-(3,5-dichloro-2-pyridinyl)piperazine (CID 131169153) is (2S)-2-(3,5-dichloro-2-pyridinyl)piperazine.
What is the SMILES notation for (2S)-2-(3,5-dichloro-2-pyridinyl)piperazine?
The canonical SMILES for (2S)-2-(3,5-dichloro-2-pyridinyl)piperazine is Clc1cnc([C@@H]2CNCCN2)c(Cl)c1.
What is the InChIKey of (2S)-2-(3,5-dichloro-2-pyridinyl)piperazine?
The InChIKey is IRPKZGXUEKLWCR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11Cl2N3/c10-6-3-7(11)9(14-4-6)8-5-12-1-2-13-8/h3-4,8,12-13H,1-2,5H2/t8-/m0/s1.
What are the key properties of (2S)-2-(3,5-dichloro-2-pyridinyl)piperazine?
(2S)-2-(3,5-dichloro-2-pyridinyl)piperazine has a molecular weight of 232.11 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dichloro-2-pyridinyl)piperazine is sourced from PubChem (CID 131169153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).