1-iodo-2-methylpiperazine

C5H11IN2 — CID 154534640

IUPAC1-iodo-2-methylpiperazine
SMILESCC1CNCCN1I
InChIInChI=1S/C5H11IN2/c1-5-4-7-2-3-8(5)6/h5,7H,2-4H2,1H3
InChIKeyZFNXRXKRJJAUKB-UHFFFAOYSA-N
MW226.06 g/mol
LogP0.63
Rot. Bonds

About 1-iodo-2-methylpiperazine

1-iodo-2-methylpiperazine (PubChem CID 154534640) has the molecular formula C5H11IN2 and a molecular weight of 226.06 g/mol. Its IUPAC name is 1-iodo-2-methylpiperazine.

Molecular Properties

Compound Name1-iodo-2-methylpiperazine
PubChem CID154534640
Molecular FormulaC5H11IN2
Molecular Weight226.06 g/mol
Exact Mass226.00
IUPAC Name1-iodo-2-methylpiperazine
SMILESCC1CNCCN1I
InChIInChI=1S/C5H11IN2/c1-5-4-7-2-3-8(5)6/h5,7H,2-4H2,1H3
InChIKeyZFNXRXKRJJAUKB-UHFFFAOYSA-N
XLogP0.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 50.63
H-Bond Donors ≤ 51
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-fluoro-2-methylpiperazine
CID 142193617
1,2-dimethylpiperazine;hydrate
CID 173257182
(2R)-1-cyclopentyl-2-methylpiperazine
CID 79002573
(2S)-2-methyl-1-nitrosopiperazine
CID 172967702
2-methyl-1-(thietan-3-yl)piperazine;dihydrochloride
CID 165469299
(2S)-1-cyclobut-2-en-1-yl-2-methylpiperazine
CID 174973107
1-cyclohexyl-2-methylpiperazine;dihydrochloride
CID 53399295
(2R)-1-cyclobut-2-en-1-yl-2-methylpiperazine
CID 174972324
(2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride
CID 57463733
ethane;(2S)-1-ethyl-2-methylpiperazine
CID 154651366
(2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride
CID 130763014
1-(1-iodocyclobutyl)-2-methylpiperazine
CID 68756890

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-methylpiperazine?
The IUPAC name of 1-iodo-2-methylpiperazine (CID 154534640) is 1-iodo-2-methylpiperazine.
What is the SMILES notation for 1-iodo-2-methylpiperazine?
The canonical SMILES for 1-iodo-2-methylpiperazine is CC1CNCCN1I.
What is the InChIKey of 1-iodo-2-methylpiperazine?
The InChIKey is ZFNXRXKRJJAUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11IN2/c1-5-4-7-2-3-8(5)6/h5,7H,2-4H2,1H3.
What are the key properties of 1-iodo-2-methylpiperazine?
1-iodo-2-methylpiperazine has a molecular weight of 226.06 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-methylpiperazine is sourced from PubChem (CID 154534640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).