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

C14H26N2O2 — CID 66369898

IUPAC3-(3-piperidin-4-yloxypropyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESC(COC1CCNCC1)CN1CC2CCC(C1)O2
InChIInChI=1S/C14H26N2O2/c1(9-17-12-4-6-15-7-5-12)8-16-10-13-2-3-14(11-16)18-13/h12-15H,1-11H2
InChIKeyDTUFVXBJIMBWSP-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.01
Rot. Bonds5

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

3-(3-piperidin-4-yloxypropyl)-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 66369898) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-(3-piperidin-4-yloxypropyl)-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(3-piperidin-4-yloxypropyl)-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID66369898
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-(3-piperidin-4-yloxypropyl)-8-oxa-3-azabicyclo[3.2.1]octane
SMILESC(COC1CCNCC1)CN1CC2CCC(C1)O2
InChIInChI=1S/C14H26N2O2/c1(9-17-12-4-6-15-7-5-12)8-16-10-13-2-3-14(11-16)18-13/h12-15H,1-11H2
InChIKeyDTUFVXBJIMBWSP-UHFFFAOYSA-N
XLogP1.01
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-4-yloxypropyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(3-piperidin-4-yloxypropyl)-8-oxa-3-azabicyclo[3.2.1]octane (CID 66369898) is 3-(3-piperidin-4-yloxypropyl)-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(3-piperidin-4-yloxypropyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(3-piperidin-4-yloxypropyl)-8-oxa-3-azabicyclo[3.2.1]octane is C(COC1CCNCC1)CN1CC2CCC(C1)O2.
What is the InChIKey of 3-(3-piperidin-4-yloxypropyl)-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is DTUFVXBJIMBWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1(9-17-12-4-6-15-7-5-12)8-16-10-13-2-3-14(11-16)18-13/h12-15H,1-11H2.
What are the key properties of 3-(3-piperidin-4-yloxypropyl)-8-oxa-3-azabicyclo[3.2.1]octane?
3-(3-piperidin-4-yloxypropyl)-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 254.37 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-4-yloxypropyl)-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66369898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).