1-tert-butyl-4-morpholin-4-ylpyrrolidin-3-ol

C12H24N2O2 — CID 58311602

IUPAC1-tert-butyl-4-morpholin-4-ylpyrrolidin-3-ol
SMILESCC(C)(C)N1CC(O)C(N2CCOCC2)C1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)14-8-10(11(15)9-14)13-4-6-16-7-5-13/h10-11,15H,4-9H2,1-3H3
InChIKeyAAIYCADCGGVOFZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.16
Rot. Bonds1

About 1-tert-butyl-4-morpholin-4-ylpyrrolidin-3-ol

1-tert-butyl-4-morpholin-4-ylpyrrolidin-3-ol (PubChem CID 58311602) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-tert-butyl-4-morpholin-4-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-tert-butyl-4-morpholin-4-ylpyrrolidin-3-ol
PubChem CID58311602
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-tert-butyl-4-morpholin-4-ylpyrrolidin-3-ol
SMILESCC(C)(C)N1CC(O)C(N2CCOCC2)C1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)14-8-10(11(15)9-14)13-4-6-16-7-5-13/h10-11,15H,4-9H2,1-3H3
InChIKeyAAIYCADCGGVOFZ-UHFFFAOYSA-N
XLogP0.16
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-morpholin-4-ylpyrrolidin-3-ol?
The IUPAC name of 1-tert-butyl-4-morpholin-4-ylpyrrolidin-3-ol (CID 58311602) is 1-tert-butyl-4-morpholin-4-ylpyrrolidin-3-ol.
What is the SMILES notation for 1-tert-butyl-4-morpholin-4-ylpyrrolidin-3-ol?
The canonical SMILES for 1-tert-butyl-4-morpholin-4-ylpyrrolidin-3-ol is CC(C)(C)N1CC(O)C(N2CCOCC2)C1.
What is the InChIKey of 1-tert-butyl-4-morpholin-4-ylpyrrolidin-3-ol?
The InChIKey is AAIYCADCGGVOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)14-8-10(11(15)9-14)13-4-6-16-7-5-13/h10-11,15H,4-9H2,1-3H3.
What are the key properties of 1-tert-butyl-4-morpholin-4-ylpyrrolidin-3-ol?
1-tert-butyl-4-morpholin-4-ylpyrrolidin-3-ol has a molecular weight of 228.34 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-morpholin-4-ylpyrrolidin-3-ol is sourced from PubChem (CID 58311602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).