1-(1-methyl-4,5-dihydroimidazol-2-yl)piperazine

C8H16N4 — CID 18424134

IUPAC1-(1-methyl-4,5-dihydroimidazol-2-yl)piperazine
SMILESCN1CCN=C1N1CCNCC1
InChIInChI=1S/C8H16N4/c1-11-5-4-10-8(11)12-6-2-9-3-7-12/h9H,2-7H2,1H3
InChIKeyGPYOTONODRGWNR-UHFFFAOYSA-N
MW168.24 g/mol
LogP-0.81
Rot. Bonds

About 1-(1-methyl-4,5-dihydroimidazol-2-yl)piperazine

1-(1-methyl-4,5-dihydroimidazol-2-yl)piperazine (PubChem CID 18424134) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(1-methyl-4,5-dihydroimidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-(1-methyl-4,5-dihydroimidazol-2-yl)piperazine
PubChem CID18424134
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name1-(1-methyl-4,5-dihydroimidazol-2-yl)piperazine
SMILESCN1CCN=C1N1CCNCC1
InChIInChI=1S/C8H16N4/c1-11-5-4-10-8(11)12-6-2-9-3-7-12/h9H,2-7H2,1H3
InChIKeyGPYOTONODRGWNR-UHFFFAOYSA-N
XLogP-0.81
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-4,5-dihydroimidazol-2-yl)piperazine?
The IUPAC name of 1-(1-methyl-4,5-dihydroimidazol-2-yl)piperazine (CID 18424134) is 1-(1-methyl-4,5-dihydroimidazol-2-yl)piperazine.
What is the SMILES notation for 1-(1-methyl-4,5-dihydroimidazol-2-yl)piperazine?
The canonical SMILES for 1-(1-methyl-4,5-dihydroimidazol-2-yl)piperazine is CN1CCN=C1N1CCNCC1.
What is the InChIKey of 1-(1-methyl-4,5-dihydroimidazol-2-yl)piperazine?
The InChIKey is GPYOTONODRGWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4/c1-11-5-4-10-8(11)12-6-2-9-3-7-12/h9H,2-7H2,1H3.
What are the key properties of 1-(1-methyl-4,5-dihydroimidazol-2-yl)piperazine?
1-(1-methyl-4,5-dihydroimidazol-2-yl)piperazine has a molecular weight of 168.24 g/mol, XLogP of -0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-4,5-dihydroimidazol-2-yl)piperazine is sourced from PubChem (CID 18424134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).