4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine

C12H18ClN3 — CID 177274249

IUPAC4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine
SMILESCc1ccc(N2CCN(C)C(C)C2)c(Cl)n1
InChIInChI=1S/C12H18ClN3/c1-9-4-5-11(12(13)14-9)16-7-6-15(3)10(2)8-16/h4-5,10H,6-8H2,1-3H3
InChIKeyREXXUQFPVIDJDQ-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.18
Rot. Bonds1

About 4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine

4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine (PubChem CID 177274249) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine.

Molecular Properties

Compound Name4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine
PubChem CID177274249
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine
SMILESCc1ccc(N2CCN(C)C(C)C2)c(Cl)n1
InChIInChI=1S/C12H18ClN3/c1-9-4-5-11(12(13)14-9)16-7-6-15(3)10(2)8-16/h4-5,10H,6-8H2,1-3H3
InChIKeyREXXUQFPVIDJDQ-UHFFFAOYSA-N
XLogP2.18
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine?
The IUPAC name of 4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine (CID 177274249) is 4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine.
What is the SMILES notation for 4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine?
The canonical SMILES for 4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine is Cc1ccc(N2CCN(C)C(C)C2)c(Cl)n1.
What is the InChIKey of 4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine?
The InChIKey is REXXUQFPVIDJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-9-4-5-11(12(13)14-9)16-7-6-15(3)10(2)8-16/h4-5,10H,6-8H2,1-3H3.
What are the key properties of 4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine?
4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine has a molecular weight of 239.75 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methyl-3-pyridinyl)-1,2-dimethylpiperazine is sourced from PubChem (CID 177274249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).