1-[4-(3-azidoprop-1-enyl)phenyl]piperazine

C13H17N5 — CID 169462483

IUPAC1-[4-(3-azidoprop-1-enyl)phenyl]piperazine
SMILES[N-]=[N+]=NCC=Cc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H17N5/c14-17-16-7-1-2-12-3-5-13(6-4-12)18-10-8-15-9-11-18/h1-6,15H,7-11H2
InChIKeyLRSZOBVMTGMKSI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.42
Rot. Bonds4

About 1-[4-(3-azidoprop-1-enyl)phenyl]piperazine

1-[4-(3-azidoprop-1-enyl)phenyl]piperazine (PubChem CID 169462483) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-[4-(3-azidoprop-1-enyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(3-azidoprop-1-enyl)phenyl]piperazine
PubChem CID169462483
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name1-[4-(3-azidoprop-1-enyl)phenyl]piperazine
SMILES[N-]=[N+]=NCC=Cc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C13H17N5/c14-17-16-7-1-2-12-3-5-13(6-4-12)18-10-8-15-9-11-18/h1-6,15H,7-11H2
InChIKeyLRSZOBVMTGMKSI-UHFFFAOYSA-N
XLogP2.42
TPSA64.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', '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-[4-(3-azidoprop-1-enyl)phenyl]piperazine?
The IUPAC name of 1-[4-(3-azidoprop-1-enyl)phenyl]piperazine (CID 169462483) is 1-[4-(3-azidoprop-1-enyl)phenyl]piperazine.
What is the SMILES notation for 1-[4-(3-azidoprop-1-enyl)phenyl]piperazine?
The canonical SMILES for 1-[4-(3-azidoprop-1-enyl)phenyl]piperazine is [N-]=[N+]=NCC=Cc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-[4-(3-azidoprop-1-enyl)phenyl]piperazine?
The InChIKey is LRSZOBVMTGMKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c14-17-16-7-1-2-12-3-5-13(6-4-12)18-10-8-15-9-11-18/h1-6,15H,7-11H2.
What are the key properties of 1-[4-(3-azidoprop-1-enyl)phenyl]piperazine?
1-[4-(3-azidoprop-1-enyl)phenyl]piperazine has a molecular weight of 243.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-azidoprop-1-enyl)phenyl]piperazine is sourced from PubChem (CID 169462483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).