1-iodo-1-piperazin-1-ylethanol

C6H13IN2O — CID 66895904

IUPAC1-iodo-1-piperazin-1-ylethanol
SMILESCC(O)(I)N1CCNCC1
InChIInChI=1S/C6H13IN2O/c1-6(7,10)9-4-2-8-3-5-9/h8,10H,2-5H2,1H3
InChIKeyMFDZNJQHRWVVSQ-UHFFFAOYSA-N
MW256.09 g/mol
LogP-0.01
Rot. Bonds1

About 1-iodo-1-piperazin-1-ylethanol

1-iodo-1-piperazin-1-ylethanol (PubChem CID 66895904) has the molecular formula C6H13IN2O and a molecular weight of 256.09 g/mol. Its IUPAC name is 1-iodo-1-piperazin-1-ylethanol.

Molecular Properties

Compound Name1-iodo-1-piperazin-1-ylethanol
PubChem CID66895904
Molecular FormulaC6H13IN2O
Molecular Weight256.09 g/mol
Exact Mass256.01
IUPAC Name1-iodo-1-piperazin-1-ylethanol
SMILESCC(O)(I)N1CCNCC1
InChIInChI=1S/C6H13IN2O/c1-6(7,10)9-4-2-8-3-5-9/h8,10H,2-5H2,1H3
InChIKeyMFDZNJQHRWVVSQ-UHFFFAOYSA-N
XLogP-0.01
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-amino-1-piperazin-1-ylethanol
CID 57320675
1-tert-butylpiperazine;ethane;methane
CID 161367706
1-piperazin-1-ylethane-1,1-dithiol
CID 54504790
2-piperazin-1-ylpropan-2-amine
CID 54235590
1,2-di(piperazin-1-yl)propan-2-ol
CID 57284131
1-cyclohexyl-1-piperazin-1-ylethanol
CID 69265314
1-tert-butyl-1,4-diazepane;1-tert-butylpiperazine
CID 158347014
2-hydroxy-4,4-dimethyl-2-piperazin-1-ylpentanoic acid
CID 69422963
2,2-dihydroxy-2-piperazin-1-ylacetaldehyde
CID 71773270
2-methyl-2-piperazin-1-yl-N-propylpropanamide
CID 80548473
1-tert-butyl-1,4,8,11-tetrazacyclotetradecane
CID 155077597
CID 145139140
CID 145139140

Frequently Asked Questions

What is the IUPAC name of 1-iodo-1-piperazin-1-ylethanol?
The IUPAC name of 1-iodo-1-piperazin-1-ylethanol (CID 66895904) is 1-iodo-1-piperazin-1-ylethanol.
What is the SMILES notation for 1-iodo-1-piperazin-1-ylethanol?
The canonical SMILES for 1-iodo-1-piperazin-1-ylethanol is CC(O)(I)N1CCNCC1.
What is the InChIKey of 1-iodo-1-piperazin-1-ylethanol?
The InChIKey is MFDZNJQHRWVVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13IN2O/c1-6(7,10)9-4-2-8-3-5-9/h8,10H,2-5H2,1H3.
What are the key properties of 1-iodo-1-piperazin-1-ylethanol?
1-iodo-1-piperazin-1-ylethanol has a molecular weight of 256.09 g/mol, XLogP of -0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-1-piperazin-1-ylethanol is sourced from PubChem (CID 66895904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).