4-(1-ethylimidazol-2-yl)-3-methylpiperidine

C11H19N3 — CID 114502153

IUPAC4-(1-ethylimidazol-2-yl)-3-methylpiperidine
SMILESCCn1ccnc1C1CCNCC1C
InChIInChI=1S/C11H19N3/c1-3-14-7-6-13-11(14)10-4-5-12-8-9(10)2/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyQLIVFWXYNMZILD-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.62
Rot. Bonds2

About 4-(1-ethylimidazol-2-yl)-3-methylpiperidine

4-(1-ethylimidazol-2-yl)-3-methylpiperidine (PubChem CID 114502153) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-(1-ethylimidazol-2-yl)-3-methylpiperidine.

Molecular Properties

Compound Name4-(1-ethylimidazol-2-yl)-3-methylpiperidine
PubChem CID114502153
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-(1-ethylimidazol-2-yl)-3-methylpiperidine
SMILESCCn1ccnc1C1CCNCC1C
InChIInChI=1S/C11H19N3/c1-3-14-7-6-13-11(14)10-4-5-12-8-9(10)2/h6-7,9-10,12H,3-5,8H2,1-2H3
InChIKeyQLIVFWXYNMZILD-UHFFFAOYSA-N
XLogP1.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylimidazol-2-yl)-3-methylpiperidine?
The IUPAC name of 4-(1-ethylimidazol-2-yl)-3-methylpiperidine (CID 114502153) is 4-(1-ethylimidazol-2-yl)-3-methylpiperidine.
What is the SMILES notation for 4-(1-ethylimidazol-2-yl)-3-methylpiperidine?
The canonical SMILES for 4-(1-ethylimidazol-2-yl)-3-methylpiperidine is CCn1ccnc1C1CCNCC1C.
What is the InChIKey of 4-(1-ethylimidazol-2-yl)-3-methylpiperidine?
The InChIKey is QLIVFWXYNMZILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-14-7-6-13-11(14)10-4-5-12-8-9(10)2/h6-7,9-10,12H,3-5,8H2,1-2H3.
What are the key properties of 4-(1-ethylimidazol-2-yl)-3-methylpiperidine?
4-(1-ethylimidazol-2-yl)-3-methylpiperidine has a molecular weight of 193.29 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylimidazol-2-yl)-3-methylpiperidine is sourced from PubChem (CID 114502153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).