4-[2-(oxolan-2-yl)-1-piperidin-1-ylpyrrolidin-2-yl]morpholine

C17H31N3O2 — CID 141054281

IUPAC4-[2-(oxolan-2-yl)-1-piperidin-1-ylpyrrolidin-2-yl]morpholine
SMILESC1CCN(N2CCCC2(C2CCCO2)N2CCOCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-2-8-19(9-3-1)20-10-5-7-17(20,16-6-4-13-22-16)18-11-14-21-15-12-18/h16H,1-15H2
InChIKeySCAJBFSVDWRVBT-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.69
Rot. Bonds3

About 4-[2-(oxolan-2-yl)-1-piperidin-1-ylpyrrolidin-2-yl]morpholine

4-[2-(oxolan-2-yl)-1-piperidin-1-ylpyrrolidin-2-yl]morpholine (PubChem CID 141054281) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-[2-(oxolan-2-yl)-1-piperidin-1-ylpyrrolidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[2-(oxolan-2-yl)-1-piperidin-1-ylpyrrolidin-2-yl]morpholine
PubChem CID141054281
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name4-[2-(oxolan-2-yl)-1-piperidin-1-ylpyrrolidin-2-yl]morpholine
SMILESC1CCN(N2CCCC2(C2CCCO2)N2CCOCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-2-8-19(9-3-1)20-10-5-7-17(20,16-6-4-13-22-16)18-11-14-21-15-12-18/h16H,1-15H2
InChIKeySCAJBFSVDWRVBT-UHFFFAOYSA-N
XLogP1.69
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-2-yl)-1-piperidin-1-ylpyrrolidin-2-yl]morpholine?
The IUPAC name of 4-[2-(oxolan-2-yl)-1-piperidin-1-ylpyrrolidin-2-yl]morpholine (CID 141054281) is 4-[2-(oxolan-2-yl)-1-piperidin-1-ylpyrrolidin-2-yl]morpholine.
What is the SMILES notation for 4-[2-(oxolan-2-yl)-1-piperidin-1-ylpyrrolidin-2-yl]morpholine?
The canonical SMILES for 4-[2-(oxolan-2-yl)-1-piperidin-1-ylpyrrolidin-2-yl]morpholine is C1CCN(N2CCCC2(C2CCCO2)N2CCOCC2)CC1.
What is the InChIKey of 4-[2-(oxolan-2-yl)-1-piperidin-1-ylpyrrolidin-2-yl]morpholine?
The InChIKey is SCAJBFSVDWRVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-2-8-19(9-3-1)20-10-5-7-17(20,16-6-4-13-22-16)18-11-14-21-15-12-18/h16H,1-15H2.
What are the key properties of 4-[2-(oxolan-2-yl)-1-piperidin-1-ylpyrrolidin-2-yl]morpholine?
4-[2-(oxolan-2-yl)-1-piperidin-1-ylpyrrolidin-2-yl]morpholine has a molecular weight of 309.45 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-2-yl)-1-piperidin-1-ylpyrrolidin-2-yl]morpholine is sourced from PubChem (CID 141054281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).