3-(3-piperidin-4-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane

C14H26N2O — CID 66370088

IUPAC3-(3-piperidin-4-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESC(CC1CCNCC1)CN1CC2CCC(C1)O2
InChIInChI=1S/C14H26N2O/c1(2-12-5-7-15-8-6-12)9-16-10-13-3-4-14(11-16)17-13/h12-15H,1-11H2
InChIKeyUNTIOAXFXHTHEZ-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds4

About 3-(3-piperidin-4-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane

3-(3-piperidin-4-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 66370088) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-(3-piperidin-4-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(3-piperidin-4-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID66370088
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name3-(3-piperidin-4-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESC(CC1CCNCC1)CN1CC2CCC(C1)O2
InChIInChI=1S/C14H26N2O/c1(2-12-5-7-15-8-6-12)9-16-10-13-3-4-14(11-16)17-13/h12-15H,1-11H2
InChIKeyUNTIOAXFXHTHEZ-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-piperidin-4-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-4-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(3-piperidin-4-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 66370088) is 3-(3-piperidin-4-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(3-piperidin-4-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(3-piperidin-4-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane is C(CC1CCNCC1)CN1CC2CCC(C1)O2.
What is the InChIKey of 3-(3-piperidin-4-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is UNTIOAXFXHTHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1(2-12-5-7-15-8-6-12)9-16-10-13-3-4-14(11-16)17-13/h12-15H,1-11H2.
What are the key properties of 3-(3-piperidin-4-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(3-piperidin-4-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 238.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-4-ylpropyl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66370088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).