(2S)-2-(2,6-dichloro-3-pyridinyl)piperazine

C9H11Cl2N3 — CID 131093662

IUPAC(2S)-2-(2,6-dichloro-3-pyridinyl)piperazine
SMILESClc1ccc([C@H]2CNCCN2)c(Cl)n1
InChIInChI=1S/C9H11Cl2N3/c10-8-2-1-6(9(11)14-8)7-5-12-3-4-13-7/h1-2,7,12-13H,3-5H2/t7-/m1/s1
InChIKeyVLXMKJCLKAYABC-SSDOTTSWSA-N
MW232.11 g/mol
LogP1.62
Rot. Bonds1

About (2S)-2-(2,6-dichloro-3-pyridinyl)piperazine

(2S)-2-(2,6-dichloro-3-pyridinyl)piperazine (PubChem CID 131093662) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is (2S)-2-(2,6-dichloro-3-pyridinyl)piperazine.

Molecular Properties

Compound Name(2S)-2-(2,6-dichloro-3-pyridinyl)piperazine
PubChem CID131093662
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name(2S)-2-(2,6-dichloro-3-pyridinyl)piperazine
SMILESClc1ccc([C@H]2CNCCN2)c(Cl)n1
InChIInChI=1S/C9H11Cl2N3/c10-8-2-1-6(9(11)14-8)7-5-12-3-4-13-7/h1-2,7,12-13H,3-5H2/t7-/m1/s1
InChIKeyVLXMKJCLKAYABC-SSDOTTSWSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-3-[(2S)-piperidin-2-yl]pyridine
CID 130612938
2-chloro-6-[(2R)-piperazin-2-yl]phenol;hydrochloride
CID 171194348
2-chloro-3-fluoro-6-[(2R)-piperazin-2-yl]phenol
CID 171259662
(2R)-2-(2-chloro-4-pyridinyl)piperazine
CID 130941484
(2S)-2-[2-chloro-3-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 171193872
4-[(2S)-piperazin-2-yl]benzene-1,3-diol;hydrochloride
CID 171193580
(2S)-2-(2,4-dimethylphenyl)piperazine
CID 55264314
(2S)-2-(2-chloro-4-iodo-3-pyridinyl)piperazine
CID 131128323
(2R)-2-(2,4-dimethylphenyl)piperazine;hydrochloride
CID 171194638
(2S)-2-(2,4-dichloro-5-fluorophenyl)piperazine
CID 86317470
(2R)-2-(2,3,6-trichlorophenyl)piperazine
CID 171194626
3-chloro-4-piperazin-2-ylpyridine-2-carboxylic acid
CID 22291865

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,6-dichloro-3-pyridinyl)piperazine?
The IUPAC name of (2S)-2-(2,6-dichloro-3-pyridinyl)piperazine (CID 131093662) is (2S)-2-(2,6-dichloro-3-pyridinyl)piperazine.
What is the SMILES notation for (2S)-2-(2,6-dichloro-3-pyridinyl)piperazine?
The canonical SMILES for (2S)-2-(2,6-dichloro-3-pyridinyl)piperazine is Clc1ccc([C@H]2CNCCN2)c(Cl)n1.
What is the InChIKey of (2S)-2-(2,6-dichloro-3-pyridinyl)piperazine?
The InChIKey is VLXMKJCLKAYABC-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11Cl2N3/c10-8-2-1-6(9(11)14-8)7-5-12-3-4-13-7/h1-2,7,12-13H,3-5H2/t7-/m1/s1.
What are the key properties of (2S)-2-(2,6-dichloro-3-pyridinyl)piperazine?
(2S)-2-(2,6-dichloro-3-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-(2,6-dichloro-3-pyridinyl)piperazine is sourced from PubChem (CID 131093662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).