1-(1-methylimidazol-2-yl)piperazine

C8H14N4 — CID 21189008

IUPAC1-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1N1CCNCC1
InChIInChI=1S/C8H14N4/c1-11-5-4-10-8(11)12-6-2-9-3-7-12/h4-5,9H,2-3,6-7H2,1H3
InChIKeyOYBUININCBHVPI-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.17
Rot. Bonds1

About 1-(1-methylimidazol-2-yl)piperazine

1-(1-methylimidazol-2-yl)piperazine (PubChem CID 21189008) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)piperazine
PubChem CID21189008
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-(1-methylimidazol-2-yl)piperazine
SMILESCn1ccnc1N1CCNCC1
InChIInChI=1S/C8H14N4/c1-11-5-4-10-8(11)12-6-2-9-3-7-12/h4-5,9H,2-3,6-7H2,1H3
InChIKeyOYBUININCBHVPI-UHFFFAOYSA-N
XLogP-0.17
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)piperazine?
The IUPAC name of 1-(1-methylimidazol-2-yl)piperazine (CID 21189008) is 1-(1-methylimidazol-2-yl)piperazine.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)piperazine?
The canonical SMILES for 1-(1-methylimidazol-2-yl)piperazine is Cn1ccnc1N1CCNCC1.
What is the InChIKey of 1-(1-methylimidazol-2-yl)piperazine?
The InChIKey is OYBUININCBHVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-11-5-4-10-8(11)12-6-2-9-3-7-12/h4-5,9H,2-3,6-7H2,1H3.
What are the key properties of 1-(1-methylimidazol-2-yl)piperazine?
1-(1-methylimidazol-2-yl)piperazine has a molecular weight of 166.23 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)piperazine is sourced from PubChem (CID 21189008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).