2-piperazin-1-ylcyclohepta[d]imidazole

C12H14N4 — CID 13036368

IUPAC2-piperazin-1-ylcyclohepta[d]imidazole
SMILESc1ccc2nc(N3CCNCC3)nc-2cc1
InChIInChI=1S/C12H14N4/c1-2-4-10-11(5-3-1)15-12(14-10)16-8-6-13-7-9-16/h1-5,13H,6-9H2
InChIKeyAUGWLFIRRVKOML-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.99
Rot. Bonds1

About 2-piperazin-1-ylcyclohepta[d]imidazole

2-piperazin-1-ylcyclohepta[d]imidazole (PubChem CID 13036368) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-piperazin-1-ylcyclohepta[d]imidazole.

Molecular Properties

Compound Name2-piperazin-1-ylcyclohepta[d]imidazole
PubChem CID13036368
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-piperazin-1-ylcyclohepta[d]imidazole
SMILESc1ccc2nc(N3CCNCC3)nc-2cc1
InChIInChI=1S/C12H14N4/c1-2-4-10-11(5-3-1)15-12(14-10)16-8-6-13-7-9-16/h1-5,13H,6-9H2
InChIKeyAUGWLFIRRVKOML-UHFFFAOYSA-N
XLogP0.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylcyclohepta[d]imidazole?
The IUPAC name of 2-piperazin-1-ylcyclohepta[d]imidazole (CID 13036368) is 2-piperazin-1-ylcyclohepta[d]imidazole.
What is the SMILES notation for 2-piperazin-1-ylcyclohepta[d]imidazole?
The canonical SMILES for 2-piperazin-1-ylcyclohepta[d]imidazole is c1ccc2nc(N3CCNCC3)nc-2cc1.
What is the InChIKey of 2-piperazin-1-ylcyclohepta[d]imidazole?
The InChIKey is AUGWLFIRRVKOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-2-4-10-11(5-3-1)15-12(14-10)16-8-6-13-7-9-16/h1-5,13H,6-9H2.
What are the key properties of 2-piperazin-1-ylcyclohepta[d]imidazole?
2-piperazin-1-ylcyclohepta[d]imidazole has a molecular weight of 214.27 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylcyclohepta[d]imidazole is sourced from PubChem (CID 13036368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).