5-ethyl-2-methylpiperidine

C8H17N — CID 7727

IUPAC5-ethyl-2-methylpiperidine
SMILESCCC1CCC(C)NC1
InChIInChI=1S/C8H17N/c1-3-8-5-4-7(2)9-6-8/h7-9H,3-6H2,1-2H3
InChIKeyXOFNHZHCGBPVGJ-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.78
Rot. Bonds1

About 5-ethyl-2-methylpiperidine

5-ethyl-2-methylpiperidine (PubChem CID 7727) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 5-ethyl-2-methylpiperidine.

Molecular Properties

Compound Name5-ethyl-2-methylpiperidine
PubChem CID7727
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name5-ethyl-2-methylpiperidine
SMILESCCC1CCC(C)NC1
InChIInChI=1S/C8H17N/c1-3-8-5-4-7(2)9-6-8/h7-9H,3-6H2,1-2H3
InChIKeyXOFNHZHCGBPVGJ-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methylpiperidine?
The IUPAC name of 5-ethyl-2-methylpiperidine (CID 7727) is 5-ethyl-2-methylpiperidine.
What is the SMILES notation for 5-ethyl-2-methylpiperidine?
The canonical SMILES for 5-ethyl-2-methylpiperidine is CCC1CCC(C)NC1.
What is the InChIKey of 5-ethyl-2-methylpiperidine?
The InChIKey is XOFNHZHCGBPVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-3-8-5-4-7(2)9-6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-ethyl-2-methylpiperidine?
5-ethyl-2-methylpiperidine has a molecular weight of 127.23 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methylpiperidine is sourced from PubChem (CID 7727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).