1-[2-(1H-imidazol-2-yl)cycloheptyl]piperazine

C14H24N4 — CID 57109812

IUPAC1-[2-(1H-imidazol-2-yl)cycloheptyl]piperazine
SMILESc1c[nH]c(C2CCCCCC2N2CCNCC2)n1
InChIInChI=1S/C14H24N4/c1-2-4-12(14-16-6-7-17-14)13(5-3-1)18-10-8-15-9-11-18/h6-7,12-13,15H,1-5,8-11H2,(H,16,17)
InChIKeyPWOPQDIGXBOQTQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.73
Rot. Bonds2

About 1-[2-(1H-imidazol-2-yl)cycloheptyl]piperazine

1-[2-(1H-imidazol-2-yl)cycloheptyl]piperazine (PubChem CID 57109812) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-2-yl)cycloheptyl]piperazine.

Molecular Properties

Compound Name1-[2-(1H-imidazol-2-yl)cycloheptyl]piperazine
PubChem CID57109812
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-[2-(1H-imidazol-2-yl)cycloheptyl]piperazine
SMILESc1c[nH]c(C2CCCCCC2N2CCNCC2)n1
InChIInChI=1S/C14H24N4/c1-2-4-12(14-16-6-7-17-14)13(5-3-1)18-10-8-15-9-11-18/h6-7,12-13,15H,1-5,8-11H2,(H,16,17)
InChIKeyPWOPQDIGXBOQTQ-UHFFFAOYSA-N
XLogP1.73
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-2-yl)cycloheptyl]piperazine?
The IUPAC name of 1-[2-(1H-imidazol-2-yl)cycloheptyl]piperazine (CID 57109812) is 1-[2-(1H-imidazol-2-yl)cycloheptyl]piperazine.
What is the SMILES notation for 1-[2-(1H-imidazol-2-yl)cycloheptyl]piperazine?
The canonical SMILES for 1-[2-(1H-imidazol-2-yl)cycloheptyl]piperazine is c1c[nH]c(C2CCCCCC2N2CCNCC2)n1.
What is the InChIKey of 1-[2-(1H-imidazol-2-yl)cycloheptyl]piperazine?
The InChIKey is PWOPQDIGXBOQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-2-4-12(14-16-6-7-17-14)13(5-3-1)18-10-8-15-9-11-18/h6-7,12-13,15H,1-5,8-11H2,(H,16,17).
What are the key properties of 1-[2-(1H-imidazol-2-yl)cycloheptyl]piperazine?
1-[2-(1H-imidazol-2-yl)cycloheptyl]piperazine has a molecular weight of 248.37 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-2-yl)cycloheptyl]piperazine is sourced from PubChem (CID 57109812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).