3-ethoxy-1-pentan-3-ylpiperidine

C12H25NO — CID 173298981

IUPAC3-ethoxy-1-pentan-3-ylpiperidine
SMILESCCOC1CCCN(C(CC)CC)C1
InChIInChI=1S/C12H25NO/c1-4-11(5-2)13-9-7-8-12(10-13)14-6-3/h11-12H,4-10H2,1-3H3
InChIKeyHLCGNFZZWYJSKA-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.68
Rot. Bonds5

About 3-ethoxy-1-pentan-3-ylpiperidine

3-ethoxy-1-pentan-3-ylpiperidine (PubChem CID 173298981) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-ethoxy-1-pentan-3-ylpiperidine.

Molecular Properties

Compound Name3-ethoxy-1-pentan-3-ylpiperidine
PubChem CID173298981
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-ethoxy-1-pentan-3-ylpiperidine
SMILESCCOC1CCCN(C(CC)CC)C1
InChIInChI=1S/C12H25NO/c1-4-11(5-2)13-9-7-8-12(10-13)14-6-3/h11-12H,4-10H2,1-3H3
InChIKeyHLCGNFZZWYJSKA-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-pentan-3-ylpiperidine?
The IUPAC name of 3-ethoxy-1-pentan-3-ylpiperidine (CID 173298981) is 3-ethoxy-1-pentan-3-ylpiperidine.
What is the SMILES notation for 3-ethoxy-1-pentan-3-ylpiperidine?
The canonical SMILES for 3-ethoxy-1-pentan-3-ylpiperidine is CCOC1CCCN(C(CC)CC)C1.
What is the InChIKey of 3-ethoxy-1-pentan-3-ylpiperidine?
The InChIKey is HLCGNFZZWYJSKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-11(5-2)13-9-7-8-12(10-13)14-6-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 3-ethoxy-1-pentan-3-ylpiperidine?
3-ethoxy-1-pentan-3-ylpiperidine has a molecular weight of 199.34 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-pentan-3-ylpiperidine is sourced from PubChem (CID 173298981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).