1-[(3-cyclohexylimidazol-4-yl)methyl]piperazine

C14H24N4 — CID 91839083

IUPAC1-[(3-cyclohexylimidazol-4-yl)methyl]piperazine
SMILESc1ncn(C2CCCCC2)c1CN1CCNCC1
InChIInChI=1S/C14H24N4/c1-2-4-13(5-3-1)18-12-16-10-14(18)11-17-8-6-15-7-9-17/h10,12-13,15H,1-9,11H2
InChIKeyBDZHQFYIABHRTN-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.79
Rot. Bonds3

About 1-[(3-cyclohexylimidazol-4-yl)methyl]piperazine

1-[(3-cyclohexylimidazol-4-yl)methyl]piperazine (PubChem CID 91839083) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[(3-cyclohexylimidazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-cyclohexylimidazol-4-yl)methyl]piperazine
PubChem CID91839083
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-[(3-cyclohexylimidazol-4-yl)methyl]piperazine
SMILESc1ncn(C2CCCCC2)c1CN1CCNCC1
InChIInChI=1S/C14H24N4/c1-2-4-13(5-3-1)18-12-16-10-14(18)11-17-8-6-15-7-9-17/h10,12-13,15H,1-9,11H2
InChIKeyBDZHQFYIABHRTN-UHFFFAOYSA-N
XLogP1.79
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclohexylimidazol-4-yl)methyl]piperazine?
The IUPAC name of 1-[(3-cyclohexylimidazol-4-yl)methyl]piperazine (CID 91839083) is 1-[(3-cyclohexylimidazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(3-cyclohexylimidazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(3-cyclohexylimidazol-4-yl)methyl]piperazine is c1ncn(C2CCCCC2)c1CN1CCNCC1.
What is the InChIKey of 1-[(3-cyclohexylimidazol-4-yl)methyl]piperazine?
The InChIKey is BDZHQFYIABHRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-2-4-13(5-3-1)18-12-16-10-14(18)11-17-8-6-15-7-9-17/h10,12-13,15H,1-9,11H2.
What are the key properties of 1-[(3-cyclohexylimidazol-4-yl)methyl]piperazine?
1-[(3-cyclohexylimidazol-4-yl)methyl]piperazine has a molecular weight of 248.37 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclohexylimidazol-4-yl)methyl]piperazine is sourced from PubChem (CID 91839083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).