1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine

C17H24N4 — CID 58996638

IUPAC1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine
SMILESCCc1nccn1Cc1ccccc1N1CCN(C)CC1
InChIInChI=1S/C17H24N4/c1-3-17-18-8-9-21(17)14-15-6-4-5-7-16(15)20-12-10-19(2)11-13-20/h4-9H,3,10-14H2,1-2H3
InChIKeyXHCXOBOOLROWPI-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.25
Rot. Bonds4

About 1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine

1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine (PubChem CID 58996638) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine
PubChem CID58996638
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine
SMILESCCc1nccn1Cc1ccccc1N1CCN(C)CC1
InChIInChI=1S/C17H24N4/c1-3-17-18-8-9-21(17)14-15-6-4-5-7-16(15)20-12-10-19(2)11-13-20/h4-9H,3,10-14H2,1-2H3
InChIKeyXHCXOBOOLROWPI-UHFFFAOYSA-N
XLogP2.25
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62442763
3-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine
CID 62465807
1-methyl-4-(2-propylphenyl)piperazine
CID 21034052
1-methyl-4-[2-[(1-methylimidazol-2-yl)methoxy]phenyl]piperazine
CID 58996743
N-[[2-(4-methyl-1,4-diazepan-1-yl)phenyl]methyl]propan-1-amine
CID 43281328
N-methoxy-1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 117343517
3-[(2-ethylimidazol-1-yl)methyl]pyridine-2-carboximidamide
CID 62895246
1-(2-ethylphenyl)-4-(2-pyrazol-1-ylethyl)piperazine
CID 118789531
[3-[(2-ethylimidazol-1-yl)methyl]quinolin-2-yl]hydrazine
CID 62244455
4-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]morpholine
CID 167847529
1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole
CID 115769752
4-[(2-ethylimidazol-1-yl)methyl]pyridine
CID 63810514

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine (CID 58996638) is 1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine is CCc1nccn1Cc1ccccc1N1CCN(C)CC1.
What is the InChIKey of 1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine?
The InChIKey is XHCXOBOOLROWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-3-17-18-8-9-21(17)14-15-6-4-5-7-16(15)20-12-10-19(2)11-13-20/h4-9H,3,10-14H2,1-2H3.
What are the key properties of 1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine?
1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine has a molecular weight of 284.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine is sourced from PubChem (CID 58996638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).