1-(1-iodoprop-2-enyl)-3-(2-methylpropyl)piperazine

C11H21IN2 — CID 68867277

IUPAC1-(1-iodoprop-2-enyl)-3-(2-methylpropyl)piperazine
SMILESC=CC(I)N1CCNC(CC(C)C)C1
InChIInChI=1S/C11H21IN2/c1-4-11(12)14-6-5-13-10(8-14)7-9(2)3/h4,9-11,13H,1,5-8H2,2-3H3
InChIKeyZFGWNKBPGKZQDG-UHFFFAOYSA-N
MW308.21 g/mol
LogP2.25
Rot. Bonds4

About 1-(1-iodoprop-2-enyl)-3-(2-methylpropyl)piperazine

1-(1-iodoprop-2-enyl)-3-(2-methylpropyl)piperazine (PubChem CID 68867277) has the molecular formula C11H21IN2 and a molecular weight of 308.21 g/mol. Its IUPAC name is 1-(1-iodoprop-2-enyl)-3-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(1-iodoprop-2-enyl)-3-(2-methylpropyl)piperazine
PubChem CID68867277
Molecular FormulaC11H21IN2
Molecular Weight308.21 g/mol
Exact Mass308.07
IUPAC Name1-(1-iodoprop-2-enyl)-3-(2-methylpropyl)piperazine
SMILESC=CC(I)N1CCNC(CC(C)C)C1
InChIInChI=1S/C11H21IN2/c1-4-11(12)14-6-5-13-10(8-14)7-9(2)3/h4,9-11,13H,1,5-8H2,2-3H3
InChIKeyZFGWNKBPGKZQDG-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 52.25
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 1-(1-iodoprop-2-enyl)-3-(2-methylpropyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodoprop-2-enyl)-3-(2-methylpropyl)piperazine?
The IUPAC name of 1-(1-iodoprop-2-enyl)-3-(2-methylpropyl)piperazine (CID 68867277) is 1-(1-iodoprop-2-enyl)-3-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(1-iodoprop-2-enyl)-3-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(1-iodoprop-2-enyl)-3-(2-methylpropyl)piperazine is C=CC(I)N1CCNC(CC(C)C)C1.
What is the InChIKey of 1-(1-iodoprop-2-enyl)-3-(2-methylpropyl)piperazine?
The InChIKey is ZFGWNKBPGKZQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21IN2/c1-4-11(12)14-6-5-13-10(8-14)7-9(2)3/h4,9-11,13H,1,5-8H2,2-3H3.
What are the key properties of 1-(1-iodoprop-2-enyl)-3-(2-methylpropyl)piperazine?
1-(1-iodoprop-2-enyl)-3-(2-methylpropyl)piperazine has a molecular weight of 308.21 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodoprop-2-enyl)-3-(2-methylpropyl)piperazine is sourced from PubChem (CID 68867277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).