4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine

C19H27N3 — CID 90494036

IUPAC4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine
SMILESCCc1nccn1CC1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C19H27N3/c1-3-19-20-9-12-22(19)15-17-7-10-21(11-8-17)14-18-6-4-5-16(2)13-18/h4-6,9,12-13,17H,3,7-8,10-11,14-15H2,1-2H3
InChIKeyINVGTCUXJVQNFG-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.67
Rot. Bonds5

About 4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine

4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine (PubChem CID 90494036) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine
PubChem CID90494036
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine
SMILESCCc1nccn1CC1CCN(Cc2cccc(C)c2)CC1
InChIInChI=1S/C19H27N3/c1-3-19-20-9-12-22(19)15-17-7-10-21(11-8-17)14-18-6-4-5-16(2)13-18/h4-6,9,12-13,17H,3,7-8,10-11,14-15H2,1-2H3
InChIKeyINVGTCUXJVQNFG-UHFFFAOYSA-N
XLogP3.67
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-[(3-bromophenyl)methyl]azetidin-3-yl]methyl]-2-ethylimidazole
CID 163346162
4-(imidazol-1-ylmethyl)-1-[(3-methylphenyl)methyl]piperidine
CID 90493809
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
4-[[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 90494064
N-(2,4-dimethylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90493955
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
1-[(3-methylphenyl)methyl]-4-[(1-propan-2-ylimidazol-2-yl)methyl]piperazine
CID 56881830
2-[2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethyl]isoindole-1,3-dione
CID 90494027
4-[(2-ethylimidazol-1-yl)methyl]-1-[(E)-2-(4-methylphenyl)ethenyl]sulfonylpiperidine
CID 90494156
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
ethyl 1-[(1-benzylpiperidin-4-yl)methyl]imidazole-2-carboxylate
CID 56861647
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]butan-2-amine
CID 83983420

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine?
The IUPAC name of 4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine (CID 90494036) is 4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine is CCc1nccn1CC1CCN(Cc2cccc(C)c2)CC1.
What is the InChIKey of 4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine?
The InChIKey is INVGTCUXJVQNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-3-19-20-9-12-22(19)15-17-7-10-21(11-8-17)14-18-6-4-5-16(2)13-18/h4-6,9,12-13,17H,3,7-8,10-11,14-15H2,1-2H3.
What are the key properties of 4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine?
4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine has a molecular weight of 297.45 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylimidazol-1-yl)methyl]-1-[(3-methylphenyl)methyl]piperidine is sourced from PubChem (CID 90494036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).