1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine

C16H22N4 — CID 63874840

IUPAC1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine
SMILESCC1CN(Cc2ccc(-n3ccnc3)cc2)CC(C)N1
InChIInChI=1S/C16H22N4/c1-13-9-19(10-14(2)18-13)11-15-3-5-16(6-4-15)20-8-7-17-12-20/h3-8,12-14,18H,9-11H2,1-2H3
InChIKeyRXWKZPWUUXAHBR-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.05
Rot. Bonds3

About 1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine

1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine (PubChem CID 63874840) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine
PubChem CID63874840
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine
SMILESCC1CN(Cc2ccc(-n3ccnc3)cc2)CC(C)N1
InChIInChI=1S/C16H22N4/c1-13-9-19(10-14(2)18-13)11-15-3-5-16(6-4-15)20-8-7-17-12-20/h3-8,12-14,18H,9-11H2,1-2H3
InChIKeyRXWKZPWUUXAHBR-UHFFFAOYSA-N
XLogP2.05
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(4-imidazol-1-ylphenyl)methyl]-3-methylpiperazine
CID 103885713
1-[(4-imidazol-1-ylphenyl)methyl]azocane
CID 167953311
[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-trimethylsilane
CID 103438167
(2S)-1-[(2S)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 98768736
(1R,5S)-6-[(4-imidazol-1-ylphenyl)methyl]-3-(pyridin-4-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane
CID 133119322
(3S,4R)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(4-methoxyphenyl)-N,N-dimethylpyrrolidin-3-amine
CID 70731889
[(3R,4S)-1-[(4-imidazol-1-ylphenyl)methyl]-4-(morpholin-4-ylmethyl)pyrrolidin-3-yl]methanol
CID 70716912
1-[1-[(4-imidazol-1-ylphenyl)methyl]pyrrolidin-3-yl]-3,5-dimethylpyrazole
CID 56905482
2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728732
1-[(4-imidazol-1-ylphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 112801173
N-hydroxy-4-[[(2R)-4-[(4-imidazol-1-ylphenyl)methyl]-2-methylpiperazin-1-yl]methyl]benzamide
CID 135269671
N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 51086166

Frequently Asked Questions

What is the IUPAC name of 1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine (CID 63874840) is 1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine is CC1CN(Cc2ccc(-n3ccnc3)cc2)CC(C)N1.
What is the InChIKey of 1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine?
The InChIKey is RXWKZPWUUXAHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-13-9-19(10-14(2)18-13)11-15-3-5-16(6-4-15)20-8-7-17-12-20/h3-8,12-14,18H,9-11H2,1-2H3.
What are the key properties of 1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine?
1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine has a molecular weight of 270.38 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-imidazol-1-ylphenyl)methyl]-3,5-dimethylpiperazine is sourced from PubChem (CID 63874840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).