4-(oxolan-3-yloxy)piperidine

C9H17NO2 — CID 63558245

IUPAC4-(oxolan-3-yloxy)piperidine
SMILESC1CC(OC2CCOC2)CCN1
InChIInChI=1S/C9H17NO2/c1-4-10-5-2-8(1)12-9-3-6-11-7-9/h8-10H,1-7H2
InChIKeyXPPIANJSURIDNT-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.54
Rot. Bonds2

About 4-(oxolan-3-yloxy)piperidine

4-(oxolan-3-yloxy)piperidine (PubChem CID 63558245) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(oxolan-3-yloxy)piperidine.

Molecular Properties

Compound Name4-(oxolan-3-yloxy)piperidine
PubChem CID63558245
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-(oxolan-3-yloxy)piperidine
SMILESC1CC(OC2CCOC2)CCN1
InChIInChI=1S/C9H17NO2/c1-4-10-5-2-8(1)12-9-3-6-11-7-9/h8-10H,1-7H2
InChIKeyXPPIANJSURIDNT-UHFFFAOYSA-N
XLogP0.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-3-yloxy)piperidine?
The IUPAC name of 4-(oxolan-3-yloxy)piperidine (CID 63558245) is 4-(oxolan-3-yloxy)piperidine.
What is the SMILES notation for 4-(oxolan-3-yloxy)piperidine?
The canonical SMILES for 4-(oxolan-3-yloxy)piperidine is C1CC(OC2CCOC2)CCN1.
What is the InChIKey of 4-(oxolan-3-yloxy)piperidine?
The InChIKey is XPPIANJSURIDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-10-5-2-8(1)12-9-3-6-11-7-9/h8-10H,1-7H2.
What are the key properties of 4-(oxolan-3-yloxy)piperidine?
4-(oxolan-3-yloxy)piperidine has a molecular weight of 171.24 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-3-yloxy)piperidine is sourced from PubChem (CID 63558245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).