1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-ethylpiperidine

C13H23N3 — CID 134241862

IUPAC1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-ethylpiperidine
SMILESCCC1CCCN(Cc2nc(C)c(C)[nH]2)C1
InChIInChI=1S/C13H23N3/c1-4-12-6-5-7-16(8-12)9-13-14-10(2)11(3)15-13/h12H,4-9H2,1-3H3,(H,14,15)
InChIKeyMSJYAONAOBTZCW-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.65
Rot. Bonds3

About 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-ethylpiperidine

1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-ethylpiperidine (PubChem CID 134241862) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-ethylpiperidine.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-ethylpiperidine
PubChem CID134241862
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-ethylpiperidine
SMILESCCC1CCCN(Cc2nc(C)c(C)[nH]2)C1
InChIInChI=1S/C13H23N3/c1-4-12-6-5-7-16(8-12)9-13-14-10(2)11(3)15-13/h12H,4-9H2,1-3H3,(H,14,15)
InChIKeyMSJYAONAOBTZCW-UHFFFAOYSA-N
XLogP2.65
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine dihydrochloride
CID 86812362
4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine
CID 43650718
4-[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine
CID 83853639
4-(fluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 84774516
4-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine
CID 84774518
3-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine
CID 84774519
4-[[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine
CID 84781847
3-[[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine
CID 84781848
2-[[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine
CID 84781849
4-(difluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 84783912
3-[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine
CID 84783915
4-[[4-(difluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine
CID 84792723

Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-ethylpiperidine?
The IUPAC name of 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-ethylpiperidine (CID 134241862) is 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-ethylpiperidine.
What is the SMILES notation for 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-ethylpiperidine?
The canonical SMILES for 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-ethylpiperidine is CCC1CCCN(Cc2nc(C)c(C)[nH]2)C1.
What is the InChIKey of 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-ethylpiperidine?
The InChIKey is MSJYAONAOBTZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-12-6-5-7-16(8-12)9-13-14-10(2)11(3)15-13/h12H,4-9H2,1-3H3,(H,14,15).
What are the key properties of 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-ethylpiperidine?
1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-ethylpiperidine has a molecular weight of 221.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-3-ethylpiperidine is sourced from PubChem (CID 134241862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).