3-iodo-1-propan-2-ylpiperazine

C7H15IN2 — CID 140575626

IUPAC3-iodo-1-propan-2-ylpiperazine
SMILESCC(C)N1CCNC(I)C1
InChIInChI=1S/C7H15IN2/c1-6(2)10-4-3-9-7(8)5-10/h6-7,9H,3-5H2,1-2H3
InChIKeyVJSGREINCRBYFX-UHFFFAOYSA-N
MW254.11 g/mol
LogP1.06
Rot. Bonds1

About 3-iodo-1-propan-2-ylpiperazine

3-iodo-1-propan-2-ylpiperazine (PubChem CID 140575626) has the molecular formula C7H15IN2 and a molecular weight of 254.11 g/mol. Its IUPAC name is 3-iodo-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name3-iodo-1-propan-2-ylpiperazine
PubChem CID140575626
Molecular FormulaC7H15IN2
Molecular Weight254.11 g/mol
Exact Mass254.03
IUPAC Name3-iodo-1-propan-2-ylpiperazine
SMILESCC(C)N1CCNC(I)C1
InChIInChI=1S/C7H15IN2/c1-6(2)10-4-3-9-7(8)5-10/h6-7,9H,3-5H2,1-2H3
InChIKeyVJSGREINCRBYFX-UHFFFAOYSA-N
XLogP1.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 51.06
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(4-propan-2-ylpiperazin-2-yl)ethanone
CID 59646570
(3aR)-6-propan-2-yl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine
CID 166764383
1-(3-methylpiperazin-1-yl)ethanamine
CID 115102156
1-(1-cyclopropylethyl)-3-methylpiperazine
CID 64926432
1-propan-2-ylpiperazine;vanadium
CID 162375922
(3S)-3-methyl-1-[2-methyl-1-[(2R)-4-propan-2-ylpiperazin-2-yl]propan-2-yl]piperazine
CID 130220758
(3S)-1-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 67298942
1-(4,4-difluorobutan-2-yl)-3-methylpiperazine
CID 130653889
2-[(3S)-3-methylpiperazin-1-yl]propanamide
CID 104976739
6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291266
1-(1-ethoxypropan-2-yl)-3-methylpiperazine
CID 64953136
7-methyl-3-propan-2-yl-3-azabicyclo[4.1.0]heptane
CID 176763978

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-propan-2-ylpiperazine?
The IUPAC name of 3-iodo-1-propan-2-ylpiperazine (CID 140575626) is 3-iodo-1-propan-2-ylpiperazine.
What is the SMILES notation for 3-iodo-1-propan-2-ylpiperazine?
The canonical SMILES for 3-iodo-1-propan-2-ylpiperazine is CC(C)N1CCNC(I)C1.
What is the InChIKey of 3-iodo-1-propan-2-ylpiperazine?
The InChIKey is VJSGREINCRBYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15IN2/c1-6(2)10-4-3-9-7(8)5-10/h6-7,9H,3-5H2,1-2H3.
What are the key properties of 3-iodo-1-propan-2-ylpiperazine?
3-iodo-1-propan-2-ylpiperazine has a molecular weight of 254.11 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-propan-2-ylpiperazine is sourced from PubChem (CID 140575626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).