2,6-diiodo-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol

C13H16I2N2O — CID 171296483

IUPAC2,6-diiodo-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
SMILESC=C[C@H](c1cc(I)c(O)c(I)c1)N1CCNCC1
InChIInChI=1S/C13H16I2N2O/c1-2-12(17-5-3-16-4-6-17)9-7-10(14)13(18)11(15)8-9/h2,7-8,12,16,18H,1,3-6H2/t12-/m1/s1
InChIKeyBLZNHAQHKAVOEG-GFCCVEGCSA-N
MW470.09 g/mol
LogP2.73
Rot. Bonds3

About 2,6-diiodo-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol

2,6-diiodo-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol (PubChem CID 171296483) has the molecular formula C13H16I2N2O and a molecular weight of 470.09 g/mol. Its IUPAC name is 2,6-diiodo-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol.

Molecular Properties

Compound Name2,6-diiodo-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
PubChem CID171296483
Molecular FormulaC13H16I2N2O
Molecular Weight470.09 g/mol
Exact Mass469.94
IUPAC Name2,6-diiodo-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
SMILESC=C[C@H](c1cc(I)c(O)c(I)c1)N1CCNCC1
InChIInChI=1S/C13H16I2N2O/c1-2-12(17-5-3-16-4-6-17)9-7-10(14)13(18)11(15)8-9/h2,7-8,12,16,18H,1,3-6H2/t12-/m1/s1
InChIKeyBLZNHAQHKAVOEG-GFCCVEGCSA-N
XLogP2.73
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.09
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-diiodo-4-[(1S)-1-piperazin-1-ylethyl]phenol
CID 171283859
1-[(1R)-1-(3,5-dichlorophenyl)prop-2-enyl]piperazine
CID 171288389
4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131631160
1-[(1S)-1-(3-iodophenyl)prop-2-enyl]piperazine
CID 131360304
3-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171285428
1-[(1R)-1-(4-bromo-3,5-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171288214
4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2,6-diiodophenol
CID 171283871
2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171274552
2-fluoro-4-methyl-6-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol;dihydrochloride
CID 171300679
4-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2,6-diiodophenol;dihydrochloride
CID 171283888
2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
CID 131622980
1-[(1S)-1-(3,4-dimethoxyphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171273419

Frequently Asked Questions

What is the IUPAC name of 2,6-diiodo-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
The IUPAC name of 2,6-diiodo-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol (CID 171296483) is 2,6-diiodo-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol.
What is the SMILES notation for 2,6-diiodo-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
The canonical SMILES for 2,6-diiodo-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol is C=C[C@H](c1cc(I)c(O)c(I)c1)N1CCNCC1.
What is the InChIKey of 2,6-diiodo-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
The InChIKey is BLZNHAQHKAVOEG-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16I2N2O/c1-2-12(17-5-3-16-4-6-17)9-7-10(14)13(18)11(15)8-9/h2,7-8,12,16,18H,1,3-6H2/t12-/m1/s1.
What are the key properties of 2,6-diiodo-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol?
2,6-diiodo-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol has a molecular weight of 470.09 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diiodo-4-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol is sourced from PubChem (CID 171296483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).