3-ethoxy-4-methylpiperidine

C8H17NO — CID 102954057

IUPAC3-ethoxy-4-methylpiperidine
SMILESCCOC1CNCCC1C
InChIInChI=1S/C8H17NO/c1-3-10-8-6-9-5-4-7(8)2/h7-9H,3-6H2,1-2H3
InChIKeyRORXZAUSPKJUNM-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.02
Rot. Bonds2

About 3-ethoxy-4-methylpiperidine

3-ethoxy-4-methylpiperidine (PubChem CID 102954057) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 3-ethoxy-4-methylpiperidine.

Molecular Properties

Compound Name3-ethoxy-4-methylpiperidine
PubChem CID102954057
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name3-ethoxy-4-methylpiperidine
SMILESCCOC1CNCCC1C
InChIInChI=1S/C8H17NO/c1-3-10-8-6-9-5-4-7(8)2/h7-9H,3-6H2,1-2H3
InChIKeyRORXZAUSPKJUNM-UHFFFAOYSA-N
XLogP1.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methylpiperidine?
The IUPAC name of 3-ethoxy-4-methylpiperidine (CID 102954057) is 3-ethoxy-4-methylpiperidine.
What is the SMILES notation for 3-ethoxy-4-methylpiperidine?
The canonical SMILES for 3-ethoxy-4-methylpiperidine is CCOC1CNCCC1C.
What is the InChIKey of 3-ethoxy-4-methylpiperidine?
The InChIKey is RORXZAUSPKJUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-10-8-6-9-5-4-7(8)2/h7-9H,3-6H2,1-2H3.
What are the key properties of 3-ethoxy-4-methylpiperidine?
3-ethoxy-4-methylpiperidine has a molecular weight of 143.23 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methylpiperidine is sourced from PubChem (CID 102954057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).