1-(2-azidocyclopentyl)-4-propan-2-ylpiperazine

C12H23N5 — CID 167026864

IUPAC1-(2-azidocyclopentyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CCCC2N=[N+]=[N-])CC1
InChIInChI=1S/C12H23N5/c1-10(2)16-6-8-17(9-7-16)12-5-3-4-11(12)14-15-13/h10-12H,3-9H2,1-2H3
InChIKeyUJFAMTKGPCZFRS-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.24
Rot. Bonds3

About 1-(2-azidocyclopentyl)-4-propan-2-ylpiperazine

1-(2-azidocyclopentyl)-4-propan-2-ylpiperazine (PubChem CID 167026864) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(2-azidocyclopentyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-azidocyclopentyl)-4-propan-2-ylpiperazine
PubChem CID167026864
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name1-(2-azidocyclopentyl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C2CCCC2N=[N+]=[N-])CC1
InChIInChI=1S/C12H23N5/c1-10(2)16-6-8-17(9-7-16)12-5-3-4-11(12)14-15-13/h10-12H,3-9H2,1-2H3
InChIKeyUJFAMTKGPCZFRS-UHFFFAOYSA-N
XLogP2.24
TPSA55.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.24
H-Bond Donors ≤ 50
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-azidocyclopentyl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(2-azidocyclopentyl)-4-propan-2-ylpiperazine (CID 167026864) is 1-(2-azidocyclopentyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-azidocyclopentyl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-azidocyclopentyl)-4-propan-2-ylpiperazine is CC(C)N1CCN(C2CCCC2N=[N+]=[N-])CC1.
What is the InChIKey of 1-(2-azidocyclopentyl)-4-propan-2-ylpiperazine?
The InChIKey is UJFAMTKGPCZFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-10(2)16-6-8-17(9-7-16)12-5-3-4-11(12)14-15-13/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(2-azidocyclopentyl)-4-propan-2-ylpiperazine?
1-(2-azidocyclopentyl)-4-propan-2-ylpiperazine has a molecular weight of 237.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidocyclopentyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 167026864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).