1-(6-iodo-2-pyridinyl)-4-methylpiperazine

C10H14IN3 — CID 10804369

IUPAC1-(6-iodo-2-pyridinyl)-4-methylpiperazine
SMILESCN1CCN(c2cccc(I)n2)CC1
InChIInChI=1S/C10H14IN3/c1-13-5-7-14(8-6-13)10-4-2-3-9(11)12-10/h2-4H,5-8H2,1H3
InChIKeyBMIQQALNTAJMLB-UHFFFAOYSA-N
MW303.15 g/mol
LogP1.44
Rot. Bonds1

About 1-(6-iodo-2-pyridinyl)-4-methylpiperazine

1-(6-iodo-2-pyridinyl)-4-methylpiperazine (PubChem CID 10804369) has the molecular formula C10H14IN3 and a molecular weight of 303.15 g/mol. Its IUPAC name is 1-(6-iodo-2-pyridinyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(6-iodo-2-pyridinyl)-4-methylpiperazine
PubChem CID10804369
Molecular FormulaC10H14IN3
Molecular Weight303.15 g/mol
Exact Mass303.02
IUPAC Name1-(6-iodo-2-pyridinyl)-4-methylpiperazine
SMILESCN1CCN(c2cccc(I)n2)CC1
InChIInChI=1S/C10H14IN3/c1-13-5-7-14(8-6-13)10-4-2-3-9(11)12-10/h2-4H,5-8H2,1H3
InChIKeyBMIQQALNTAJMLB-UHFFFAOYSA-N
XLogP1.44
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Pyridyl)piperazine
CID 94459
2-Dimethylaminopyridine
CID 21885
N1,N1-Dimethyl-N2-2-pyridinyl-1,2-ethanediamine
CID 90273
1-(3-Fluoro-2-pyridinyl)piperazine
CID 134987
1-(3-Iodopyridin-2-yl)piperazine
CID 11500225
1-(3-Fluoropyridin-2-yl)-4-methylpiperazine
CID 13298530
1-(6-Chloropyridin-2-yl)piperazine
CID 3024499
1-Methyl-4-(pyridin-2-yl)piperazine
CID 14954817
Piperazine, 1-(2-pyridinyl)-, dihydrochloride
CID 3040476
N~1~,N~1~-Dimethyl-N~2~-octyl-N~2~-(pyridin-2-yl)ethane-1,2-diamine
CID 212055
1,4-Di(2-pyridyl)piperazine
CID 231897
Ambcb5479914
CID 9585941

Frequently Asked Questions

What is the IUPAC name of 1-(6-iodo-2-pyridinyl)-4-methylpiperazine?
The IUPAC name of 1-(6-iodo-2-pyridinyl)-4-methylpiperazine (CID 10804369) is 1-(6-iodo-2-pyridinyl)-4-methylpiperazine.
What is the SMILES notation for 1-(6-iodo-2-pyridinyl)-4-methylpiperazine?
The canonical SMILES for 1-(6-iodo-2-pyridinyl)-4-methylpiperazine is CN1CCN(c2cccc(I)n2)CC1.
What is the InChIKey of 1-(6-iodo-2-pyridinyl)-4-methylpiperazine?
The InChIKey is BMIQQALNTAJMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3/c1-13-5-7-14(8-6-13)10-4-2-3-9(11)12-10/h2-4H,5-8H2,1H3.
What are the key properties of 1-(6-iodo-2-pyridinyl)-4-methylpiperazine?
1-(6-iodo-2-pyridinyl)-4-methylpiperazine has a molecular weight of 303.15 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-iodo-2-pyridinyl)-4-methylpiperazine is sourced from PubChem (CID 10804369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).