4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride

C15H22Cl2I2N2O — CID 171283888

IUPAC4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride
SMILESCl.Cl.Oc1c(I)cc([C@H](CC2CC2)N2CCNCC2)cc1I
InChIInChI=1S/C15H20I2N2O.2ClH/c16-12-8-11(9-13(17)15(12)20)14(7-10-1-2-10)19-5-3-18-4-6-19;;/h8-10,14,18,20H,1-7H2;2*1H/t14-;;/m0../s1
InChIKeyIZEFDXHGGHJCNL-UTLKBRERSA-N
MW571.07 g/mol
LogP4.19
Rot. Bonds4

About 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride

4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride (PubChem CID 171283888) has the molecular formula C15H22Cl2I2N2O and a molecular weight of 571.07 g/mol. Its IUPAC name is 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride.

Molecular Properties

Compound Name4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride
PubChem CID171283888
Molecular FormulaC15H22Cl2I2N2O
Molecular Weight571.07 g/mol
Exact Mass569.92
IUPAC Name4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride
SMILESCl.Cl.Oc1c(I)cc([C@H](CC2CC2)N2CCNCC2)cc1I
InChIInChI=1S/C15H20I2N2O.2ClH/c16-12-8-11(9-13(17)15(12)20)14(7-10-1-2-10)19-5-3-18-4-6-19;;/h8-10,14,18,20H,1-7H2;2*1H/t14-;;/m0../s1
InChIKeyIZEFDXHGGHJCNL-UTLKBRERSA-N
XLogP4.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.07
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,3-diol;dihydrochloride
CID 171273867
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171288682
4-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171285197
1-[(1R)-2-cyclopropyl-1-(4-iodophenyl)ethyl]piperazine
CID 171288681
2,6-diiodo-4-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;hydrochloride
CID 171167835
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-3,5-dimethylphenol;dihydrochloride
CID 171272960
4-[(1R)-3-fluoro-1-piperazin-1-ylpropyl]-2,6-diiodophenol
CID 171173141
4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2,6-diiodophenol
CID 171283871
2,6-diiodo-4-[(1S)-3,3,3-trifluoro-1-piperazin-1-ylpropyl]phenol
CID 171167840
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
3-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]benzene-1,2-diol;dihydrochloride
CID 171287332
2-[(1R)-2-cyclopropyl-1-piperazin-1-ylethyl]-6-fluoro-4-methylphenol;dihydrochloride
CID 171300705

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride?
The IUPAC name of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride (CID 171283888) is 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride.
What is the SMILES notation for 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride?
The canonical SMILES for 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride is Cl.Cl.Oc1c(I)cc([C@H](CC2CC2)N2CCNCC2)cc1I.
What is the InChIKey of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride?
The InChIKey is IZEFDXHGGHJCNL-UTLKBRERSA-N. The full InChI is InChI=1S/C15H20I2N2O.2ClH/c16-12-8-11(9-13(17)15(12)20)14(7-10-1-2-10)19-5-3-18-4-6-19;;/h8-10,14,18,20H,1-7H2;2*1H/t14-;;/m0../s1.
What are the key properties of 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride?
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride has a molecular weight of 571.07 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride is sourced from PubChem (CID 171283888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).