1-(5-azidopentyl)-1,4-dimethylpiperazin-1-ium

C11H24N5+ — CID 20689007

IUPAC1-(5-azidopentyl)-1,4-dimethylpiperazin-1-ium
SMILESCN1CC[N+](C)(CCCCCN=[N+]=[N-])CC1
InChIInChI=1S/C11H24N5/c1-15-7-10-16(2,11-8-15)9-5-3-4-6-13-14-12/h3-11H2,1-2H3/q+1
InChIKeyJEMBUIUFKNTTAF-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.86
Rot. Bonds6

About 1-(5-azidopentyl)-1,4-dimethylpiperazin-1-ium

1-(5-azidopentyl)-1,4-dimethylpiperazin-1-ium (PubChem CID 20689007) has the molecular formula C11H24N5+ and a molecular weight of 226.35 g/mol. Its IUPAC name is 1-(5-azidopentyl)-1,4-dimethylpiperazin-1-ium.

Molecular Properties

Compound Name1-(5-azidopentyl)-1,4-dimethylpiperazin-1-ium
PubChem CID20689007
Molecular FormulaC11H24N5+
Molecular Weight226.35 g/mol
Exact Mass226.20
IUPAC Name1-(5-azidopentyl)-1,4-dimethylpiperazin-1-ium
SMILESCN1CC[N+](C)(CCCCCN=[N+]=[N-])CC1
InChIInChI=1S/C11H24N5/c1-15-7-10-16(2,11-8-15)9-5-3-4-6-13-14-12/h3-11H2,1-2H3/q+1
InChIKeyJEMBUIUFKNTTAF-UHFFFAOYSA-N
XLogP1.86
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-azidopentyl)-1,4-dimethylpiperazin-1-ium?
The IUPAC name of 1-(5-azidopentyl)-1,4-dimethylpiperazin-1-ium (CID 20689007) is 1-(5-azidopentyl)-1,4-dimethylpiperazin-1-ium.
What is the SMILES notation for 1-(5-azidopentyl)-1,4-dimethylpiperazin-1-ium?
The canonical SMILES for 1-(5-azidopentyl)-1,4-dimethylpiperazin-1-ium is CN1CC[N+](C)(CCCCCN=[N+]=[N-])CC1.
What is the InChIKey of 1-(5-azidopentyl)-1,4-dimethylpiperazin-1-ium?
The InChIKey is JEMBUIUFKNTTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N5/c1-15-7-10-16(2,11-8-15)9-5-3-4-6-13-14-12/h3-11H2,1-2H3/q+1.
What are the key properties of 1-(5-azidopentyl)-1,4-dimethylpiperazin-1-ium?
1-(5-azidopentyl)-1,4-dimethylpiperazin-1-ium has a molecular weight of 226.35 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azidopentyl)-1,4-dimethylpiperazin-1-ium is sourced from PubChem (CID 20689007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).