2-iodo-6-[(2S)-piperazin-2-yl]phenol

C10H13IN2O — CID 130640964

IUPAC2-iodo-6-[(2S)-piperazin-2-yl]phenol
SMILESOc1c(I)cccc1[C@H]1CNCCN1
InChIInChI=1S/C10H13IN2O/c11-8-3-1-2-7(10(8)14)9-6-12-4-5-13-9/h1-3,9,12-14H,4-6H2/t9-/m1/s1
InChIKeyIRLAZTBKUAZVBR-SECBINFHSA-N
MW304.13 g/mol
LogP1.23
Rot. Bonds1

About 2-iodo-6-[(2S)-piperazin-2-yl]phenol

2-iodo-6-[(2S)-piperazin-2-yl]phenol (PubChem CID 130640964) has the molecular formula C10H13IN2O and a molecular weight of 304.13 g/mol. Its IUPAC name is 2-iodo-6-[(2S)-piperazin-2-yl]phenol.

Molecular Properties

Compound Name2-iodo-6-[(2S)-piperazin-2-yl]phenol
PubChem CID130640964
Molecular FormulaC10H13IN2O
Molecular Weight304.13 g/mol
Exact Mass304.01
IUPAC Name2-iodo-6-[(2S)-piperazin-2-yl]phenol
SMILESOc1c(I)cccc1[C@H]1CNCCN1
InChIInChI=1S/C10H13IN2O/c11-8-3-1-2-7(10(8)14)9-6-12-4-5-13-9/h1-3,9,12-14H,4-6H2/t9-/m1/s1
InChIKeyIRLAZTBKUAZVBR-SECBINFHSA-N
XLogP1.23
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-6-[(2S)-piperazin-2-yl]phenol?
The IUPAC name of 2-iodo-6-[(2S)-piperazin-2-yl]phenol (CID 130640964) is 2-iodo-6-[(2S)-piperazin-2-yl]phenol.
What is the SMILES notation for 2-iodo-6-[(2S)-piperazin-2-yl]phenol?
The canonical SMILES for 2-iodo-6-[(2S)-piperazin-2-yl]phenol is Oc1c(I)cccc1[C@H]1CNCCN1.
What is the InChIKey of 2-iodo-6-[(2S)-piperazin-2-yl]phenol?
The InChIKey is IRLAZTBKUAZVBR-SECBINFHSA-N. The full InChI is InChI=1S/C10H13IN2O/c11-8-3-1-2-7(10(8)14)9-6-12-4-5-13-9/h1-3,9,12-14H,4-6H2/t9-/m1/s1.
What are the key properties of 2-iodo-6-[(2S)-piperazin-2-yl]phenol?
2-iodo-6-[(2S)-piperazin-2-yl]phenol has a molecular weight of 304.13 g/mol, XLogP of 1.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-6-[(2S)-piperazin-2-yl]phenol is sourced from PubChem (CID 130640964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).