1-[2-(1-methylimidazol-4-yl)ethyl]piperidine

C11H19N3 — CID 20703272

IUPAC1-[2-(1-methylimidazol-4-yl)ethyl]piperidine
SMILESCn1cnc(CCN2CCCCC2)c1
InChIInChI=1S/C11H19N3/c1-13-9-11(12-10-13)5-8-14-6-3-2-4-7-14/h9-10H,2-8H2,1H3
InChIKeyKHLXMEDKZFRIQM-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.45
Rot. Bonds3

About 1-[2-(1-methylimidazol-4-yl)ethyl]piperidine

1-[2-(1-methylimidazol-4-yl)ethyl]piperidine (PubChem CID 20703272) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-4-yl)ethyl]piperidine
PubChem CID20703272
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-[2-(1-methylimidazol-4-yl)ethyl]piperidine
SMILESCn1cnc(CCN2CCCCC2)c1
InChIInChI=1S/C11H19N3/c1-13-9-11(12-10-13)5-8-14-6-3-2-4-7-14/h9-10H,2-8H2,1H3
InChIKeyKHLXMEDKZFRIQM-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-4-yl)ethyl]piperidine?
The IUPAC name of 1-[2-(1-methylimidazol-4-yl)ethyl]piperidine (CID 20703272) is 1-[2-(1-methylimidazol-4-yl)ethyl]piperidine.
What is the SMILES notation for 1-[2-(1-methylimidazol-4-yl)ethyl]piperidine?
The canonical SMILES for 1-[2-(1-methylimidazol-4-yl)ethyl]piperidine is Cn1cnc(CCN2CCCCC2)c1.
What is the InChIKey of 1-[2-(1-methylimidazol-4-yl)ethyl]piperidine?
The InChIKey is KHLXMEDKZFRIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-13-9-11(12-10-13)5-8-14-6-3-2-4-7-14/h9-10H,2-8H2,1H3.
What are the key properties of 1-[2-(1-methylimidazol-4-yl)ethyl]piperidine?
1-[2-(1-methylimidazol-4-yl)ethyl]piperidine has a molecular weight of 193.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-4-yl)ethyl]piperidine is sourced from PubChem (CID 20703272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).