1-[(1-ethylimidazol-4-yl)methyl]piperidine

C11H19N3 — CID 117191782

IUPAC1-[(1-ethylimidazol-4-yl)methyl]piperidine
SMILESCCn1cnc(CN2CCCCC2)c1
InChIInChI=1S/C11H19N3/c1-2-13-8-11(12-10-13)9-14-6-4-3-5-7-14/h8,10H,2-7,9H2,1H3
InChIKeyMKIBQFIFCBZDGT-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.89
Rot. Bonds3

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

1-[(1-ethylimidazol-4-yl)methyl]piperidine (PubChem CID 117191782) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-4-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(1-ethylimidazol-4-yl)methyl]piperidine
PubChem CID117191782
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-[(1-ethylimidazol-4-yl)methyl]piperidine
SMILESCCn1cnc(CN2CCCCC2)c1
InChIInChI=1S/C11H19N3/c1-2-13-8-11(12-10-13)9-14-6-4-3-5-7-14/h8,10H,2-7,9H2,1H3
InChIKeyMKIBQFIFCBZDGT-UHFFFAOYSA-N
XLogP1.89
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-4-yl)methyl]piperidine?
The IUPAC name of 1-[(1-ethylimidazol-4-yl)methyl]piperidine (CID 117191782) is 1-[(1-ethylimidazol-4-yl)methyl]piperidine.
What is the SMILES notation for 1-[(1-ethylimidazol-4-yl)methyl]piperidine?
The canonical SMILES for 1-[(1-ethylimidazol-4-yl)methyl]piperidine is CCn1cnc(CN2CCCCC2)c1.
What is the InChIKey of 1-[(1-ethylimidazol-4-yl)methyl]piperidine?
The InChIKey is MKIBQFIFCBZDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-13-8-11(12-10-13)9-14-6-4-3-5-7-14/h8,10H,2-7,9H2,1H3.
What are the key properties of 1-[(1-ethylimidazol-4-yl)methyl]piperidine?
1-[(1-ethylimidazol-4-yl)methyl]piperidine has a molecular weight of 193.29 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-4-yl)methyl]piperidine is sourced from PubChem (CID 117191782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).