1-[2-(azidomethyl)prop-2-enyl]piperazine

C8H15N5 — CID 18547091

IUPAC1-[2-(azidomethyl)prop-2-enyl]piperazine
SMILESC=C(CN=[N+]=[N-])CN1CCNCC1
InChIInChI=1S/C8H15N5/c1-8(6-11-12-9)7-13-4-2-10-3-5-13/h10H,1-7H2
InChIKeyZOUHGAYMDROYFS-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.76
Rot. Bonds4

About 1-[2-(azidomethyl)prop-2-enyl]piperazine

1-[2-(azidomethyl)prop-2-enyl]piperazine (PubChem CID 18547091) has the molecular formula C8H15N5 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-[2-(azidomethyl)prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[2-(azidomethyl)prop-2-enyl]piperazine
PubChem CID18547091
Molecular FormulaC8H15N5
Molecular Weight181.24 g/mol
Exact Mass181.13
IUPAC Name1-[2-(azidomethyl)prop-2-enyl]piperazine
SMILESC=C(CN=[N+]=[N-])CN1CCNCC1
InChIInChI=1S/C8H15N5/c1-8(6-11-12-9)7-13-4-2-10-3-5-13/h10H,1-7H2
InChIKeyZOUHGAYMDROYFS-UHFFFAOYSA-N
XLogP0.76
TPSA64.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.76
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-[2-(azidomethyl)prop-2-enyl]piperazine?
The IUPAC name of 1-[2-(azidomethyl)prop-2-enyl]piperazine (CID 18547091) is 1-[2-(azidomethyl)prop-2-enyl]piperazine.
What is the SMILES notation for 1-[2-(azidomethyl)prop-2-enyl]piperazine?
The canonical SMILES for 1-[2-(azidomethyl)prop-2-enyl]piperazine is C=C(CN=[N+]=[N-])CN1CCNCC1.
What is the InChIKey of 1-[2-(azidomethyl)prop-2-enyl]piperazine?
The InChIKey is ZOUHGAYMDROYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5/c1-8(6-11-12-9)7-13-4-2-10-3-5-13/h10H,1-7H2.
What are the key properties of 1-[2-(azidomethyl)prop-2-enyl]piperazine?
1-[2-(azidomethyl)prop-2-enyl]piperazine has a molecular weight of 181.24 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azidomethyl)prop-2-enyl]piperazine is sourced from PubChem (CID 18547091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).