2-(4-nitropiperazin-1-yl)ethanol

C6H13N3O3 — CID 45099637

IUPAC2-(4-nitropiperazin-1-yl)ethanol
SMILESO=[N+]([O-])N1CCN(CCO)CC1
InChIInChI=1S/C6H13N3O3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h10H,1-6H2
InChIKeyABAUHEKMEHBEMZ-UHFFFAOYSA-N
MW175.19 g/mol
LogP-1.21
Rot. Bonds3

About 2-(4-nitropiperazin-1-yl)ethanol

2-(4-nitropiperazin-1-yl)ethanol (PubChem CID 45099637) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-(4-nitropiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-nitropiperazin-1-yl)ethanol
PubChem CID45099637
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name2-(4-nitropiperazin-1-yl)ethanol
SMILESO=[N+]([O-])N1CCN(CCO)CC1
InChIInChI=1S/C6H13N3O3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h10H,1-6H2
InChIKeyABAUHEKMEHBEMZ-UHFFFAOYSA-N
XLogP-1.21
TPSA69.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;[4-(hydroxymethyl)piperazin-1-yl]methanol
CID 69172076
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;methyl hydrogen carbonate
CID 67621651
fluoro hypofluorite;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 70545422
bis(2-piperidin-1-ylethanol);dihydroiodide
CID 175097300
(Z)-acetyloxymethoxyimino-[4-(2-hydroxyethyl)piperazin-1-yl]-oxidoazanium
CID 134986746
2-(4-methanidylpiperazin-1-yl)ethanol
CID 20723281
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
sodium bis(2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate)
CID 127258879
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
2-[4-(2-nitrophenyl)piperazin-1-yl]ethanol;hydrochloride
CID 17384295
sodium;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanesulfonate;hydrate
CID 71308703

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitropiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-nitropiperazin-1-yl)ethanol (CID 45099637) is 2-(4-nitropiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-nitropiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-nitropiperazin-1-yl)ethanol is O=[N+]([O-])N1CCN(CCO)CC1.
What is the InChIKey of 2-(4-nitropiperazin-1-yl)ethanol?
The InChIKey is ABAUHEKMEHBEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h10H,1-6H2.
What are the key properties of 2-(4-nitropiperazin-1-yl)ethanol?
2-(4-nitropiperazin-1-yl)ethanol has a molecular weight of 175.19 g/mol, XLogP of -1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitropiperazin-1-yl)ethanol is sourced from PubChem (CID 45099637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).