(2S,6R)-1,4-diiodo-2,6-dimethylpiperazine

C6H12I2N2 — CID 160927554

IUPAC(2S,6R)-1,4-diiodo-2,6-dimethylpiperazine
SMILESC[C@@H]1CN(I)C[C@H](C)N1I
InChIInChI=1S/C6H12I2N2/c1-5-3-9(7)4-6(2)10(5)8/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeySSVMHFNUARHHGJ-OLQVQODUSA-N
MW365.98 g/mol
LogP2.08
Rot. Bonds

About (2S,6R)-1,4-diiodo-2,6-dimethylpiperazine

(2S,6R)-1,4-diiodo-2,6-dimethylpiperazine (PubChem CID 160927554) has the molecular formula C6H12I2N2 and a molecular weight of 365.98 g/mol. Its IUPAC name is (2S,6R)-1,4-diiodo-2,6-dimethylpiperazine.

Molecular Properties

Compound Name(2S,6R)-1,4-diiodo-2,6-dimethylpiperazine
PubChem CID160927554
Molecular FormulaC6H12I2N2
Molecular Weight365.98 g/mol
Exact Mass365.91
IUPAC Name(2S,6R)-1,4-diiodo-2,6-dimethylpiperazine
SMILESC[C@@H]1CN(I)C[C@H](C)N1I
InChIInChI=1S/C6H12I2N2/c1-5-3-9(7)4-6(2)10(5)8/h5-6H,3-4H2,1-2H3/t5-,6+
InChIKeySSVMHFNUARHHGJ-OLQVQODUSA-N
XLogP2.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.98
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-2,5-dimethylpyrrolidine
CID 121369942
1-iodo-2-methylaziridine
CID 139722499
3-iodo-6-methyl-3-azabicyclo[3.1.1]heptane
CID 167502434
(2S)-1-bromo-2-methylaziridine
CID 134926712
(2R)-2-methyl-1-oxidoaziridine
CID 101244990
(2R)-1-iodo-2,4-dimethylpiperazine
CID 130224355
(2S)-1-iodo-2,4-dimethylpiperazine
CID 139406604
4-(1-iodopiperidin-4-yl)-1,2,6-trimethylpiperazine
CID 167014766
(2,5-dimethyl-4-silylpiperazin-1-yl)silane
CID 123216940
(2R,5S)-1,4-dichloro-2,5-dimethylpiperazine
CID 129411829
1,4-diiodo-2-methylpiperidine
CID 170289869
1-(1-iodoazetidin-3-yl)-4-methylpiperazine
CID 152901586

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-1,4-diiodo-2,6-dimethylpiperazine?
The IUPAC name of (2S,6R)-1,4-diiodo-2,6-dimethylpiperazine (CID 160927554) is (2S,6R)-1,4-diiodo-2,6-dimethylpiperazine.
What is the SMILES notation for (2S,6R)-1,4-diiodo-2,6-dimethylpiperazine?
The canonical SMILES for (2S,6R)-1,4-diiodo-2,6-dimethylpiperazine is C[C@@H]1CN(I)C[C@H](C)N1I.
What is the InChIKey of (2S,6R)-1,4-diiodo-2,6-dimethylpiperazine?
The InChIKey is SSVMHFNUARHHGJ-OLQVQODUSA-N. The full InChI is InChI=1S/C6H12I2N2/c1-5-3-9(7)4-6(2)10(5)8/h5-6H,3-4H2,1-2H3/t5-,6+.
What are the key properties of (2S,6R)-1,4-diiodo-2,6-dimethylpiperazine?
(2S,6R)-1,4-diiodo-2,6-dimethylpiperazine has a molecular weight of 365.98 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-1,4-diiodo-2,6-dimethylpiperazine is sourced from PubChem (CID 160927554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).