3-[2-(5-oxaspiro[3.5]nonan-8-yloxy)ethyl]piperidine

C15H27NO2 — CID 79894785

IUPAC3-[2-(5-oxaspiro[3.5]nonan-8-yloxy)ethyl]piperidine
SMILESC1CNCC(CCOC2CCOC3(CCC3)C2)C1
InChIInChI=1S/C15H27NO2/c1-3-13(12-16-8-1)4-9-17-14-5-10-18-15(11-14)6-2-7-15/h13-14,16H,1-12H2
InChIKeyJPFJDZLTQMREFW-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.49
Rot. Bonds4

About 3-[2-(5-oxaspiro[3.5]nonan-8-yloxy)ethyl]piperidine

3-[2-(5-oxaspiro[3.5]nonan-8-yloxy)ethyl]piperidine (PubChem CID 79894785) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[2-(5-oxaspiro[3.5]nonan-8-yloxy)ethyl]piperidine.

Molecular Properties

Compound Name3-[2-(5-oxaspiro[3.5]nonan-8-yloxy)ethyl]piperidine
PubChem CID79894785
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-[2-(5-oxaspiro[3.5]nonan-8-yloxy)ethyl]piperidine
SMILESC1CNCC(CCOC2CCOC3(CCC3)C2)C1
InChIInChI=1S/C15H27NO2/c1-3-13(12-16-8-1)4-9-17-14-5-10-18-15(11-14)6-2-7-15/h13-14,16H,1-12H2
InChIKeyJPFJDZLTQMREFW-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-oxaspiro[3.5]nonan-8-yloxy)ethyl]piperidine?
The IUPAC name of 3-[2-(5-oxaspiro[3.5]nonan-8-yloxy)ethyl]piperidine (CID 79894785) is 3-[2-(5-oxaspiro[3.5]nonan-8-yloxy)ethyl]piperidine.
What is the SMILES notation for 3-[2-(5-oxaspiro[3.5]nonan-8-yloxy)ethyl]piperidine?
The canonical SMILES for 3-[2-(5-oxaspiro[3.5]nonan-8-yloxy)ethyl]piperidine is C1CNCC(CCOC2CCOC3(CCC3)C2)C1.
What is the InChIKey of 3-[2-(5-oxaspiro[3.5]nonan-8-yloxy)ethyl]piperidine?
The InChIKey is JPFJDZLTQMREFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-13(12-16-8-1)4-9-17-14-5-10-18-15(11-14)6-2-7-15/h13-14,16H,1-12H2.
What are the key properties of 3-[2-(5-oxaspiro[3.5]nonan-8-yloxy)ethyl]piperidine?
3-[2-(5-oxaspiro[3.5]nonan-8-yloxy)ethyl]piperidine has a molecular weight of 253.39 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-oxaspiro[3.5]nonan-8-yloxy)ethyl]piperidine is sourced from PubChem (CID 79894785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).