1-[2-(2-nitrosoethoxy)ethyl]piperazine

C8H17N3O2 — CID 89331128

IUPAC1-[2-(2-nitrosoethoxy)ethyl]piperazine
SMILESO=NCCOCCN1CCNCC1
InChIInChI=1S/C8H17N3O2/c12-10-3-7-13-8-6-11-4-1-9-2-5-11/h9H,1-8H2
InChIKeyNZYQNLJZUGXZCX-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.33
Rot. Bonds6

About 1-[2-(2-nitrosoethoxy)ethyl]piperazine

1-[2-(2-nitrosoethoxy)ethyl]piperazine (PubChem CID 89331128) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-[2-(2-nitrosoethoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-nitrosoethoxy)ethyl]piperazine
PubChem CID89331128
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name1-[2-(2-nitrosoethoxy)ethyl]piperazine
SMILESO=NCCOCCN1CCNCC1
InChIInChI=1S/C8H17N3O2/c12-10-3-7-13-8-6-11-4-1-9-2-5-11/h9H,1-8H2
InChIKeyNZYQNLJZUGXZCX-UHFFFAOYSA-N
XLogP-0.33
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]piperazine
CID 118226200
1-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]piperazine
CID 118226138
1-(2-piperazin-1-ylethoxymethyl)piperazine
CID 167474718
ethane;1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 142390482
ethane;1-[2-(3-methylbutoxy)ethyl]piperazine
CID 176984616
ethane;4-(2-piperazin-1-ylethoxy)butan-1-ol
CID 142367721
oxo-bis(2-piperazin-1-ylethoxy)phosphanium
CID 155100973
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane
CID 104560345
4-piperazin-1-ylbutyl formate;hydrochloride
CID 174611710
2-methyl-N-[2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 168837908
ethane;N-methylmethanimine;2-(2-piperazin-1-ylethoxy)ethanol;prop-1-ene
CID 143311631
tert-butyl 2-[2-[2-(2-piperazin-1-ylethoxy)ethoxy]ethoxy]acetate
CID 90281059

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-nitrosoethoxy)ethyl]piperazine?
The IUPAC name of 1-[2-(2-nitrosoethoxy)ethyl]piperazine (CID 89331128) is 1-[2-(2-nitrosoethoxy)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2-nitrosoethoxy)ethyl]piperazine?
The canonical SMILES for 1-[2-(2-nitrosoethoxy)ethyl]piperazine is O=NCCOCCN1CCNCC1.
What is the InChIKey of 1-[2-(2-nitrosoethoxy)ethyl]piperazine?
The InChIKey is NZYQNLJZUGXZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c12-10-3-7-13-8-6-11-4-1-9-2-5-11/h9H,1-8H2.
What are the key properties of 1-[2-(2-nitrosoethoxy)ethyl]piperazine?
1-[2-(2-nitrosoethoxy)ethyl]piperazine has a molecular weight of 187.24 g/mol, XLogP of -0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-nitrosoethoxy)ethyl]piperazine is sourced from PubChem (CID 89331128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).