2-(1-iodopiperazin-2-yl)ethanol

C6H13IN2O — CID 126690105

IUPAC2-(1-iodopiperazin-2-yl)ethanol
SMILESOCCC1CNCCN1I
InChIInChI=1S/C6H13IN2O/c7-9-3-2-8-5-6(9)1-4-10/h6,8,10H,1-5H2
InChIKeyUJLRYFDUOAJVSP-UHFFFAOYSA-N
MW256.09 g/mol
LogP-0.01
Rot. Bonds2

About 2-(1-iodopiperazin-2-yl)ethanol

2-(1-iodopiperazin-2-yl)ethanol (PubChem CID 126690105) has the molecular formula C6H13IN2O and a molecular weight of 256.09 g/mol. Its IUPAC name is 2-(1-iodopiperazin-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-iodopiperazin-2-yl)ethanol
PubChem CID126690105
Molecular FormulaC6H13IN2O
Molecular Weight256.09 g/mol
Exact Mass256.01
IUPAC Name2-(1-iodopiperazin-2-yl)ethanol
SMILESOCCC1CNCCN1I
InChIInChI=1S/C6H13IN2O/c7-9-3-2-8-5-6(9)1-4-10/h6,8,10H,1-5H2
InChIKeyUJLRYFDUOAJVSP-UHFFFAOYSA-N
XLogP-0.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethyl)-N-methylpiperazine-1-carboxamide
CID 68606927
(1-oxidopiperazin-2-yl)methanol
CID 87775349
2-[1-(2-hydroxysulfonothioylethyl)piperazin-2-yl]ethanol
CID 166513972
tert-butyl (2S)-2-(2-hydroxyethyl)piperazine-1-carboxylate
CID 12046236
2-[(2R)-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 7447550
1-iodo-2-methylpiperazine
CID 154534640
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
2-[(2R)-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 95165232
2-[(2R)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 95169829
(1-methylpiperazin-2-yl)methanol;dihydrochloride
CID 57481582
[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416
2-[1-[(3,4-difluorophenyl)methyl]piperazin-2-yl]ethanol
CID 2996996

Frequently Asked Questions

What is the IUPAC name of 2-(1-iodopiperazin-2-yl)ethanol?
The IUPAC name of 2-(1-iodopiperazin-2-yl)ethanol (CID 126690105) is 2-(1-iodopiperazin-2-yl)ethanol.
What is the SMILES notation for 2-(1-iodopiperazin-2-yl)ethanol?
The canonical SMILES for 2-(1-iodopiperazin-2-yl)ethanol is OCCC1CNCCN1I.
What is the InChIKey of 2-(1-iodopiperazin-2-yl)ethanol?
The InChIKey is UJLRYFDUOAJVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IN2O/c7-9-3-2-8-5-6(9)1-4-10/h6,8,10H,1-5H2.
What are the key properties of 2-(1-iodopiperazin-2-yl)ethanol?
2-(1-iodopiperazin-2-yl)ethanol has a molecular weight of 256.09 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iodopiperazin-2-yl)ethanol is sourced from PubChem (CID 126690105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).