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

C13H23N3 — CID 114510622

IUPAC3-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidine
SMILESCCC1CNCCC1Cc1nccn1CC
InChIInChI=1S/C13H23N3/c1-3-11-10-14-6-5-12(11)9-13-15-7-8-16(13)4-2/h7-8,11-12,14H,3-6,9-10H2,1-2H3
InChIKeyQQNLWISXPWWTAT-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.08
Rot. Bonds4

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

3-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidine (PubChem CID 114510622) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidine
PubChem CID114510622
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidine
SMILESCCC1CNCCC1Cc1nccn1CC
InChIInChI=1S/C13H23N3/c1-3-11-10-14-6-5-12(11)9-13-15-7-8-16(13)4-2/h7-8,11-12,14H,3-6,9-10H2,1-2H3
InChIKeyQQNLWISXPWWTAT-UHFFFAOYSA-N
XLogP2.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylimidazol-2-yl)methyl]cyclobutan-1-amine
CID 81014583
N-[[2-[(1-ethylimidazol-2-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81033575
2-[(3-ethylpiperidin-4-yl)methyl]-1,3-thiazole
CID 114510643
3-[(1-ethylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine
CID 79762054
N-[[2-[(1-ethylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81026464
(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine
CID 82761036
N-[[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031527
4-(1-ethylimidazol-2-yl)-3-methylpiperidine
CID 114502153
3-[(1-ethylimidazol-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79762047
[2-[(1-ethylimidazol-2-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81010089
2-[(1-ethylimidazol-2-yl)methyl]-6-methylpiperidine
CID 106780433
2-[(1-ethylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine
CID 106780431

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidine?
The IUPAC name of 3-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidine (CID 114510622) is 3-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidine.
What is the SMILES notation for 3-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidine?
The canonical SMILES for 3-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidine is CCC1CNCCC1Cc1nccn1CC.
What is the InChIKey of 3-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidine?
The InChIKey is QQNLWISXPWWTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-11-10-14-6-5-12(11)9-13-15-7-8-16(13)4-2/h7-8,11-12,14H,3-6,9-10H2,1-2H3.
What are the key properties of 3-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidine?
3-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidine has a molecular weight of 221.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(1-ethylimidazol-2-yl)methyl]piperidine is sourced from PubChem (CID 114510622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).