4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine

C12H21N3 — CID 82463375

IUPAC4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine
SMILESCCn1c(C2CCNCC2)nc(C)c1C
InChIInChI=1S/C12H21N3/c1-4-15-10(3)9(2)14-12(15)11-5-7-13-8-6-11/h11,13H,4-8H2,1-3H3
InChIKeyWKSBHLAIEPINAG-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.99
Rot. Bonds2

About 4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine

4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine (PubChem CID 82463375) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine
PubChem CID82463375
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine
SMILESCCn1c(C2CCNCC2)nc(C)c1C
InChIInChI=1S/C12H21N3/c1-4-15-10(3)9(2)14-12(15)11-5-7-13-8-6-11/h11,13H,4-8H2,1-3H3
InChIKeyWKSBHLAIEPINAG-UHFFFAOYSA-N
XLogP1.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine?
The IUPAC name of 4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine (CID 82463375) is 4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine.
What is the SMILES notation for 4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine?
The canonical SMILES for 4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine is CCn1c(C2CCNCC2)nc(C)c1C.
What is the InChIKey of 4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine?
The InChIKey is WKSBHLAIEPINAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-15-10(3)9(2)14-12(15)11-5-7-13-8-6-11/h11,13H,4-8H2,1-3H3.
What are the key properties of 4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine?
4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine has a molecular weight of 207.32 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-4,5-dimethylimidazol-2-yl)piperidine is sourced from PubChem (CID 82463375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).