2-piperazin-1-ylcyclohepta[d]imidazole;hydrochloride

C12H15ClN4 — CID 13036369

IUPAC2-piperazin-1-ylcyclohepta[d]imidazole;hydrochloride
SMILESCl.c1ccc2nc(N3CCNCC3)nc-2cc1
InChIInChI=1S/C12H14N4.ClH/c1-2-4-10-11(5-3-1)15-12(14-10)16-8-6-13-7-9-16;/h1-5,13H,6-9H2;1H
InChIKeyHIWOPNJQZFLIHY-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.41
Rot. Bonds1

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

2-piperazin-1-ylcyclohepta[d]imidazole;hydrochloride (PubChem CID 13036369) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-piperazin-1-ylcyclohepta[d]imidazole;hydrochloride.

Molecular Properties

Compound Name2-piperazin-1-ylcyclohepta[d]imidazole;hydrochloride
PubChem CID13036369
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name2-piperazin-1-ylcyclohepta[d]imidazole;hydrochloride
SMILESCl.c1ccc2nc(N3CCNCC3)nc-2cc1
InChIInChI=1S/C12H14N4.ClH/c1-2-4-10-11(5-3-1)15-12(14-10)16-8-6-13-7-9-16;/h1-5,13H,6-9H2;1H
InChIKeyHIWOPNJQZFLIHY-UHFFFAOYSA-N
XLogP1.41
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.41
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;hydrochloride?
The IUPAC name of 2-piperazin-1-ylcyclohepta[d]imidazole;hydrochloride (CID 13036369) is 2-piperazin-1-ylcyclohepta[d]imidazole;hydrochloride.
What is the SMILES notation for 2-piperazin-1-ylcyclohepta[d]imidazole;hydrochloride?
The canonical SMILES for 2-piperazin-1-ylcyclohepta[d]imidazole;hydrochloride is Cl.c1ccc2nc(N3CCNCC3)nc-2cc1.
What is the InChIKey of 2-piperazin-1-ylcyclohepta[d]imidazole;hydrochloride?
The InChIKey is HIWOPNJQZFLIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4.ClH/c1-2-4-10-11(5-3-1)15-12(14-10)16-8-6-13-7-9-16;/h1-5,13H,6-9H2;1H.
What are the key properties of 2-piperazin-1-ylcyclohepta[d]imidazole;hydrochloride?
2-piperazin-1-ylcyclohepta[d]imidazole;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 1.41, 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;hydrochloride is sourced from PubChem (CID 13036369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).