2,6-diiodo-4-[(2R)-piperazin-2-yl]phenol;hydrochloride

C10H13ClI2N2O — CID 171194735

IUPAC2,6-diiodo-4-[(2R)-piperazin-2-yl]phenol;hydrochloride
SMILESCl.Oc1c(I)cc([C@@H]2CNCCN2)cc1I
InChIInChI=1S/C10H12I2N2O.ClH/c11-7-3-6(4-8(12)10(7)15)9-5-13-1-2-14-9;/h3-4,9,13-15H,1-2,5H2;1H/t9-;/m0./s1
InChIKeyBKSNMELVSLUBOB-FVGYRXGTSA-N
MW466.49 g/mol
LogP2.26
Rot. Bonds1

About 2,6-diiodo-4-[(2R)-piperazin-2-yl]phenol;hydrochloride

2,6-diiodo-4-[(2R)-piperazin-2-yl]phenol;hydrochloride (PubChem CID 171194735) has the molecular formula C10H13ClI2N2O and a molecular weight of 466.49 g/mol. Its IUPAC name is 2,6-diiodo-4-[(2R)-piperazin-2-yl]phenol;hydrochloride.

Molecular Properties

Compound Name2,6-diiodo-4-[(2R)-piperazin-2-yl]phenol;hydrochloride
PubChem CID171194735
Molecular FormulaC10H13ClI2N2O
Molecular Weight466.49 g/mol
Exact Mass465.88
IUPAC Name2,6-diiodo-4-[(2R)-piperazin-2-yl]phenol;hydrochloride
SMILESCl.Oc1c(I)cc([C@@H]2CNCCN2)cc1I
InChIInChI=1S/C10H12I2N2O.ClH/c11-7-3-6(4-8(12)10(7)15)9-5-13-1-2-14-9;/h3-4,9,13-15H,1-2,5H2;1H/t9-;/m0./s1
InChIKeyBKSNMELVSLUBOB-FVGYRXGTSA-N
XLogP2.26
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-diiodo-4-[(2R)-piperazin-2-yl]phenol;hydrochloride?
The IUPAC name of 2,6-diiodo-4-[(2R)-piperazin-2-yl]phenol;hydrochloride (CID 171194735) is 2,6-diiodo-4-[(2R)-piperazin-2-yl]phenol;hydrochloride.
What is the SMILES notation for 2,6-diiodo-4-[(2R)-piperazin-2-yl]phenol;hydrochloride?
The canonical SMILES for 2,6-diiodo-4-[(2R)-piperazin-2-yl]phenol;hydrochloride is Cl.Oc1c(I)cc([C@@H]2CNCCN2)cc1I.
What is the InChIKey of 2,6-diiodo-4-[(2R)-piperazin-2-yl]phenol;hydrochloride?
The InChIKey is BKSNMELVSLUBOB-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H12I2N2O.ClH/c11-7-3-6(4-8(12)10(7)15)9-5-13-1-2-14-9;/h3-4,9,13-15H,1-2,5H2;1H/t9-;/m0./s1.
What are the key properties of 2,6-diiodo-4-[(2R)-piperazin-2-yl]phenol;hydrochloride?
2,6-diiodo-4-[(2R)-piperazin-2-yl]phenol;hydrochloride has a molecular weight of 466.49 g/mol, XLogP of 2.26, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diiodo-4-[(2R)-piperazin-2-yl]phenol;hydrochloride is sourced from PubChem (CID 171194735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).