1-(oxetan-3-yl)-4-piperidin-4-ylpiperidine

C13H24N2O — CID 90421591

IUPAC1-(oxetan-3-yl)-4-piperidin-4-ylpiperidine
SMILESC1CC(C2CCN(C3COC3)CC2)CCN1
InChIInChI=1S/C13H24N2O/c1-5-14-6-2-11(1)12-3-7-15(8-4-12)13-9-16-10-13/h11-14H,1-10H2
InChIKeyUPMCDLDCQKJMFS-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.10
Rot. Bonds2

About 1-(oxetan-3-yl)-4-piperidin-4-ylpiperidine

1-(oxetan-3-yl)-4-piperidin-4-ylpiperidine (PubChem CID 90421591) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(oxetan-3-yl)-4-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name1-(oxetan-3-yl)-4-piperidin-4-ylpiperidine
PubChem CID90421591
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(oxetan-3-yl)-4-piperidin-4-ylpiperidine
SMILESC1CC(C2CCN(C3COC3)CC2)CCN1
InChIInChI=1S/C13H24N2O/c1-5-14-6-2-11(1)12-3-7-15(8-4-12)13-9-16-10-13/h11-14H,1-10H2
InChIKeyUPMCDLDCQKJMFS-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-3-yl)-4-piperidin-4-ylpiperidine?
The IUPAC name of 1-(oxetan-3-yl)-4-piperidin-4-ylpiperidine (CID 90421591) is 1-(oxetan-3-yl)-4-piperidin-4-ylpiperidine.
What is the SMILES notation for 1-(oxetan-3-yl)-4-piperidin-4-ylpiperidine?
The canonical SMILES for 1-(oxetan-3-yl)-4-piperidin-4-ylpiperidine is C1CC(C2CCN(C3COC3)CC2)CCN1.
What is the InChIKey of 1-(oxetan-3-yl)-4-piperidin-4-ylpiperidine?
The InChIKey is UPMCDLDCQKJMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-14-6-2-11(1)12-3-7-15(8-4-12)13-9-16-10-13/h11-14H,1-10H2.
What are the key properties of 1-(oxetan-3-yl)-4-piperidin-4-ylpiperidine?
1-(oxetan-3-yl)-4-piperidin-4-ylpiperidine has a molecular weight of 224.35 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-3-yl)-4-piperidin-4-ylpiperidine is sourced from PubChem (CID 90421591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).