4-[2-(2,4,5-trimethylimidazol-1-yl)ethyl]piperidine

C13H23N3 — CID 82512786

IUPAC4-[2-(2,4,5-trimethylimidazol-1-yl)ethyl]piperidine
SMILESCc1nc(C)n(CCC2CCNCC2)c1C
InChIInChI=1S/C13H23N3/c1-10-11(2)16(12(3)15-10)9-6-13-4-7-14-8-5-13/h13-14H,4-9H2,1-3H3
InChIKeyHROZBFLEDKXEIQ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.20
Rot. Bonds3

About 4-[2-(2,4,5-trimethylimidazol-1-yl)ethyl]piperidine

4-[2-(2,4,5-trimethylimidazol-1-yl)ethyl]piperidine (PubChem CID 82512786) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-[2-(2,4,5-trimethylimidazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(2,4,5-trimethylimidazol-1-yl)ethyl]piperidine
PubChem CID82512786
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-[2-(2,4,5-trimethylimidazol-1-yl)ethyl]piperidine
SMILESCc1nc(C)n(CCC2CCNCC2)c1C
InChIInChI=1S/C13H23N3/c1-10-11(2)16(12(3)15-10)9-6-13-4-7-14-8-5-13/h13-14H,4-9H2,1-3H3
InChIKeyHROZBFLEDKXEIQ-UHFFFAOYSA-N
XLogP2.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4,5-trimethylimidazol-1-yl)ethyl]piperidine?
The IUPAC name of 4-[2-(2,4,5-trimethylimidazol-1-yl)ethyl]piperidine (CID 82512786) is 4-[2-(2,4,5-trimethylimidazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 4-[2-(2,4,5-trimethylimidazol-1-yl)ethyl]piperidine?
The canonical SMILES for 4-[2-(2,4,5-trimethylimidazol-1-yl)ethyl]piperidine is Cc1nc(C)n(CCC2CCNCC2)c1C.
What is the InChIKey of 4-[2-(2,4,5-trimethylimidazol-1-yl)ethyl]piperidine?
The InChIKey is HROZBFLEDKXEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10-11(2)16(12(3)15-10)9-6-13-4-7-14-8-5-13/h13-14H,4-9H2,1-3H3.
What are the key properties of 4-[2-(2,4,5-trimethylimidazol-1-yl)ethyl]piperidine?
4-[2-(2,4,5-trimethylimidazol-1-yl)ethyl]piperidine has a molecular weight of 221.35 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4,5-trimethylimidazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 82512786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).