1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine

C10H12Cl3N3 — CID 102750107

IUPAC1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine
SMILESCN1CCN(c2nc(Cl)c(Cl)cc2Cl)CC1
InChIInChI=1S/C10H12Cl3N3/c1-15-2-4-16(5-3-15)10-8(12)6-7(11)9(13)14-10/h6H,2-5H2,1H3
InChIKeyPUXIDQJNDJZWOC-UHFFFAOYSA-N
MW280.59 g/mol
LogP2.79
Rot. Bonds1

About 1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine

1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine (PubChem CID 102750107) has the molecular formula C10H12Cl3N3 and a molecular weight of 280.59 g/mol. Its IUPAC name is 1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine
PubChem CID102750107
Molecular FormulaC10H12Cl3N3
Molecular Weight280.59 g/mol
Exact Mass279.01
IUPAC Name1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine
SMILESCN1CCN(c2nc(Cl)c(Cl)cc2Cl)CC1
InChIInChI=1S/C10H12Cl3N3/c1-15-2-4-16(5-3-15)10-8(12)6-7(11)9(13)14-10/h6H,2-5H2,1H3
InChIKeyPUXIDQJNDJZWOC-UHFFFAOYSA-N
XLogP2.79
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.59
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3,5-dichloro-6-(4-methylpiperazin-1-yl)-2-pyridinyl]hydrazine
CID 102762367
1-(3,5,6-trichloro-2-pyridinyl)piperazine
CID 103607077
3-(3,5,6-trichloro-2-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 102751220
1-(3,5,6-trichloro-2-pyridinyl)piperidin-4-ol
CID 102750128
2,3,5-trichloro-6-(4-methoxypiperidin-1-yl)pyridine
CID 102750334
4-methyl-1-(3,5,6-trichloro-2-pyridinyl)azepane
CID 102751116
4-propyl-1-(3,5,6-trichloro-2-pyridinyl)azepane
CID 102751213
2,3,5-trichloro-6-(3,4-dimethylpiperidin-1-yl)pyridine
CID 102752005
1-(2,5-dichloropyrimidin-4-yl)-4-methyl-1,4-diazepane
CID 79632687
[1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol
CID 102750420
1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-ol
CID 102750356
4-(3,5,6-trichloro-2-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 102751070

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine?
The IUPAC name of 1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine (CID 102750107) is 1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine.
What is the SMILES notation for 1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine?
The canonical SMILES for 1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine is CN1CCN(c2nc(Cl)c(Cl)cc2Cl)CC1.
What is the InChIKey of 1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine?
The InChIKey is PUXIDQJNDJZWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl3N3/c1-15-2-4-16(5-3-15)10-8(12)6-7(11)9(13)14-10/h6H,2-5H2,1H3.
What are the key properties of 1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine?
1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine has a molecular weight of 280.59 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3,5,6-trichloro-2-pyridinyl)piperazine is sourced from PubChem (CID 102750107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).