1-[3-(azidomethyl)pent-3-enyl]piperazine

C10H19N5 — CID 73450248

IUPAC1-[3-(azidomethyl)pent-3-enyl]piperazine
SMILESCC=C(CCN1CCNCC1)CN=[N+]=[N-]
InChIInChI=1S/C10H19N5/c1-2-10(9-13-14-11)3-6-15-7-4-12-5-8-15/h2,12H,3-9H2,1H3
InChIKeyROCHGXNEENWYEF-UHFFFAOYSA-N
MW209.30 g/mol
LogP1.54
Rot. Bonds5

About 1-[3-(azidomethyl)pent-3-enyl]piperazine

1-[3-(azidomethyl)pent-3-enyl]piperazine (PubChem CID 73450248) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 1-[3-(azidomethyl)pent-3-enyl]piperazine.

Molecular Properties

Compound Name1-[3-(azidomethyl)pent-3-enyl]piperazine
PubChem CID73450248
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name1-[3-(azidomethyl)pent-3-enyl]piperazine
SMILESCC=C(CCN1CCNCC1)CN=[N+]=[N-]
InChIInChI=1S/C10H19N5/c1-2-10(9-13-14-11)3-6-15-7-4-12-5-8-15/h2,12H,3-9H2,1H3
InChIKeyROCHGXNEENWYEF-UHFFFAOYSA-N
XLogP1.54
TPSA64.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(azidomethyl)pent-3-enyl]piperazine?
The IUPAC name of 1-[3-(azidomethyl)pent-3-enyl]piperazine (CID 73450248) is 1-[3-(azidomethyl)pent-3-enyl]piperazine.
What is the SMILES notation for 1-[3-(azidomethyl)pent-3-enyl]piperazine?
The canonical SMILES for 1-[3-(azidomethyl)pent-3-enyl]piperazine is CC=C(CCN1CCNCC1)CN=[N+]=[N-].
What is the InChIKey of 1-[3-(azidomethyl)pent-3-enyl]piperazine?
The InChIKey is ROCHGXNEENWYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5/c1-2-10(9-13-14-11)3-6-15-7-4-12-5-8-15/h2,12H,3-9H2,1H3.
What are the key properties of 1-[3-(azidomethyl)pent-3-enyl]piperazine?
1-[3-(azidomethyl)pent-3-enyl]piperazine has a molecular weight of 209.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azidomethyl)pent-3-enyl]piperazine is sourced from PubChem (CID 73450248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).