1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine

C16H22N4 — CID 12063609

IUPAC1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine
SMILESCN1CCN(C(c2ccccc2)c2nccn2C)CC1
InChIInChI=1S/C16H22N4/c1-18-10-12-20(13-11-18)15(14-6-4-3-5-7-14)16-17-8-9-19(16)2/h3-9,15H,10-13H2,1-2H3
InChIKeyHRGIUXQYCKJYIO-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.76
Rot. Bonds3

About 1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine

1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine (PubChem CID 12063609) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine
PubChem CID12063609
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine
SMILESCN1CCN(C(c2ccccc2)c2nccn2C)CC1
InChIInChI=1S/C16H22N4/c1-18-10-12-20(13-11-18)15(14-6-4-3-5-7-14)16-17-8-9-19(16)2/h3-9,15H,10-13H2,1-2H3
InChIKeyHRGIUXQYCKJYIO-UHFFFAOYSA-N
XLogP1.76
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzhydryl-4-methylpiperazine
CID 6726
2-imidazol-1-yl-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 46972601
(1S)-1-(2,5-dimethylphenyl)-2-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]ethanol
CID 92764522
(2R)-2-(2-fluorophenoxy)-1-[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 92551289
2-(2-fluorophenoxy)-1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 46957886
(4R)-5,5-dimethyl-4-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazine-1-carbonyl]oxolan-2-one
CID 92582921
1-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 46970334
(2S)-3-(2-ethylimidazol-1-yl)-2-methyl-1-[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 92589472
1-ethyl-4-[4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 46972610
(2S)-2-(3-fluorophenoxy)-1-[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]propan-1-one
CID 92551286
[4-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 92579221
1-[4-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]piperazin-1-yl]-3-[(2S)-2-methylpiperidin-1-yl]propan-1-one
CID 124816048

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine?
The IUPAC name of 1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine (CID 12063609) is 1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine?
The canonical SMILES for 1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine is CN1CCN(C(c2ccccc2)c2nccn2C)CC1.
What is the InChIKey of 1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine?
The InChIKey is HRGIUXQYCKJYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-18-10-12-20(13-11-18)15(14-6-4-3-5-7-14)16-17-8-9-19(16)2/h3-9,15H,10-13H2,1-2H3.
What are the key properties of 1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine?
1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine has a molecular weight of 270.38 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-methylimidazol-2-yl)-phenylmethyl]piperazine is sourced from PubChem (CID 12063609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).