4-[(3-ethylimidazol-4-yl)methyl]piperidine

C11H19N3 — CID 84665127

IUPAC4-[(3-ethylimidazol-4-yl)methyl]piperidine
SMILESCCn1cncc1CC1CCNCC1
InChIInChI=1S/C11H19N3/c1-2-14-9-13-8-11(14)7-10-3-5-12-6-4-10/h8-10,12H,2-7H2,1H3
InChIKeyZLVNIFSUZOBSRQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.45
Rot. Bonds3

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

4-[(3-ethylimidazol-4-yl)methyl]piperidine (PubChem CID 84665127) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-[(3-ethylimidazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(3-ethylimidazol-4-yl)methyl]piperidine
PubChem CID84665127
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-[(3-ethylimidazol-4-yl)methyl]piperidine
SMILESCCn1cncc1CC1CCNCC1
InChIInChI=1S/C11H19N3/c1-2-14-9-13-8-11(14)7-10-3-5-12-6-4-10/h8-10,12H,2-7H2,1H3
InChIKeyZLVNIFSUZOBSRQ-UHFFFAOYSA-N
XLogP1.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylimidazol-4-yl)methyl]piperidine?
The IUPAC name of 4-[(3-ethylimidazol-4-yl)methyl]piperidine (CID 84665127) is 4-[(3-ethylimidazol-4-yl)methyl]piperidine.
What is the SMILES notation for 4-[(3-ethylimidazol-4-yl)methyl]piperidine?
The canonical SMILES for 4-[(3-ethylimidazol-4-yl)methyl]piperidine is CCn1cncc1CC1CCNCC1.
What is the InChIKey of 4-[(3-ethylimidazol-4-yl)methyl]piperidine?
The InChIKey is ZLVNIFSUZOBSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-14-9-13-8-11(14)7-10-3-5-12-6-4-10/h8-10,12H,2-7H2,1H3.
What are the key properties of 4-[(3-ethylimidazol-4-yl)methyl]piperidine?
4-[(3-ethylimidazol-4-yl)methyl]piperidine has a molecular weight of 193.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethylimidazol-4-yl)methyl]piperidine is sourced from PubChem (CID 84665127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).