2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine

C13H23N3 — CID 107914179

IUPAC2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine
SMILESCCc1nccn1CCC1CCCCN1C
InChIInChI=1S/C13H23N3/c1-3-13-14-8-11-16(13)10-7-12-6-4-5-9-15(12)2/h8,11-12H,3-7,9-10H2,1-2H3
InChIKeyCTXCUUGDAOCUIV-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.32
Rot. Bonds4

About 2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine

2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine (PubChem CID 107914179) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine.

Molecular Properties

Compound Name2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine
PubChem CID107914179
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine
SMILESCCc1nccn1CCC1CCCCN1C
InChIInChI=1S/C13H23N3/c1-3-13-14-8-11-16(13)10-7-12-6-4-5-9-15(12)2/h8,11-12H,3-7,9-10H2,1-2H3
InChIKeyCTXCUUGDAOCUIV-UHFFFAOYSA-N
XLogP2.32
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565238
N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine
CID 62567010
1-ethyl-2-[2-[(2S)-1-methylpyrrolidin-2-yl]ethylsulfanyl]imidazole
CID 97327974
1-cyclopentyl-2-(2-ethylimidazol-1-yl)ethanone
CID 115769665
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
N-butyl-1-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565244
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
2-[1-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]imidazol-2-yl]-1H-benzimidazole
CID 95222460
3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561520
cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492732
N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]pyrrol-2-yl]methyl]ethanamine
CID 114015196
(2S)-1-[(2S)-2-(azepan-1-ylmethyl)piperidin-1-yl]-3-(2-ethylimidazol-1-yl)-2-methylpropan-1-one
CID 92589468

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine?
The IUPAC name of 2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine (CID 107914179) is 2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine.
What is the SMILES notation for 2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine?
The canonical SMILES for 2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine is CCc1nccn1CCC1CCCCN1C.
What is the InChIKey of 2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine?
The InChIKey is CTXCUUGDAOCUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-13-14-8-11-16(13)10-7-12-6-4-5-9-15(12)2/h8,11-12H,3-7,9-10H2,1-2H3.
What are the key properties of 2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine?
2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine has a molecular weight of 221.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylimidazol-1-yl)ethyl]-1-methylpiperidine is sourced from PubChem (CID 107914179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).