1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-chloropiperazine

C12H24ClN5O3 — CID 118233347

IUPAC1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-chloropiperazine
SMILES[N-]=[N+]=NCCOCCOCCOCCN1CCN(Cl)CC1
InChIInChI=1S/C12H24ClN5O3/c13-18-4-2-17(3-5-18)6-8-20-10-12-21-11-9-19-7-1-15-16-14/h1-12H2
InChIKeyVLTFCCZZHICXSW-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.12
Rot. Bonds12

About 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-chloropiperazine

1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-chloropiperazine (PubChem CID 118233347) has the molecular formula C12H24ClN5O3 and a molecular weight of 321.81 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-chloropiperazine.

Molecular Properties

Compound Name1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-chloropiperazine
PubChem CID118233347
Molecular FormulaC12H24ClN5O3
Molecular Weight321.81 g/mol
Exact Mass321.16
IUPAC Name1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-chloropiperazine
SMILES[N-]=[N+]=NCCOCCOCCOCCN1CCN(Cl)CC1
InChIInChI=1S/C12H24ClN5O3/c13-18-4-2-17(3-5-18)6-8-20-10-12-21-11-9-19-7-1-15-16-14/h1-12H2
InChIKeyVLTFCCZZHICXSW-UHFFFAOYSA-N
XLogP1.12
TPSA82.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-chloropiperazine?
The IUPAC name of 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-chloropiperazine (CID 118233347) is 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-chloropiperazine.
What is the SMILES notation for 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-chloropiperazine?
The canonical SMILES for 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-chloropiperazine is [N-]=[N+]=NCCOCCOCCOCCN1CCN(Cl)CC1.
What is the InChIKey of 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-chloropiperazine?
The InChIKey is VLTFCCZZHICXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClN5O3/c13-18-4-2-17(3-5-18)6-8-20-10-12-21-11-9-19-7-1-15-16-14/h1-12H2.
What are the key properties of 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-chloropiperazine?
1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-chloropiperazine has a molecular weight of 321.81 g/mol, XLogP of 1.12, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-chloropiperazine is sourced from PubChem (CID 118233347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).