1-(1-iodopropan-2-yl)piperazine

C7H15IN2 — CID 69349965

IUPAC1-(1-iodopropan-2-yl)piperazine
SMILESCC(CI)N1CCNCC1
InChIInChI=1S/C7H15IN2/c1-7(6-8)10-4-2-9-3-5-10/h7,9H,2-6H2,1H3
InChIKeyVKKINRZXIVEULJ-UHFFFAOYSA-N
MW254.11 g/mol
LogP0.72
Rot. Bonds2

About 1-(1-iodopropan-2-yl)piperazine

1-(1-iodopropan-2-yl)piperazine (PubChem CID 69349965) has the molecular formula C7H15IN2 and a molecular weight of 254.11 g/mol. Its IUPAC name is 1-(1-iodopropan-2-yl)piperazine.

Molecular Properties

Compound Name1-(1-iodopropan-2-yl)piperazine
PubChem CID69349965
Molecular FormulaC7H15IN2
Molecular Weight254.11 g/mol
Exact Mass254.03
IUPAC Name1-(1-iodopropan-2-yl)piperazine
SMILESCC(CI)N1CCNCC1
InChIInChI=1S/C7H15IN2/c1-7(6-8)10-4-2-9-3-5-10/h7,9H,2-6H2,1H3
InChIKeyVKKINRZXIVEULJ-UHFFFAOYSA-N
XLogP0.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
CID 50988385
1-(4,5-dimethylhexan-2-yl)piperazine
CID 134335221
1-(5-piperazin-1-ylhexan-2-yl)-4-propan-2-ylpiperazine
CID 155105121
1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane
CID 22495519
1-heptan-2-ylpiperazine
CID 61464712
(4S)-4-piperazin-1-ylpentan-1-ol
CID 94830721
1-(4-methylsulfanylbutan-2-yl)piperazine
CID 112703762
1-propan-2-ylpiperazine;vanadium
CID 162375922
1-(1-nitropropan-2-yl)piperazine
CID 157095570
N,N-dimethyl-5-piperazin-1-ylhexan-3-amine
CID 116913942
N-(2-methyl-4-piperazin-1-ylpentan-2-yl)thiohydroxylamine
CID 164863385
1-[(2S)-1-ethylsulfanylpropan-2-yl]-1,4-diazepane
CID 124594878

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodopropan-2-yl)piperazine?
The IUPAC name of 1-(1-iodopropan-2-yl)piperazine (CID 69349965) is 1-(1-iodopropan-2-yl)piperazine.
What is the SMILES notation for 1-(1-iodopropan-2-yl)piperazine?
The canonical SMILES for 1-(1-iodopropan-2-yl)piperazine is CC(CI)N1CCNCC1.
What is the InChIKey of 1-(1-iodopropan-2-yl)piperazine?
The InChIKey is VKKINRZXIVEULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15IN2/c1-7(6-8)10-4-2-9-3-5-10/h7,9H,2-6H2,1H3.
What are the key properties of 1-(1-iodopropan-2-yl)piperazine?
1-(1-iodopropan-2-yl)piperazine has a molecular weight of 254.11 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodopropan-2-yl)piperazine is sourced from PubChem (CID 69349965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).