5-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrrolidin-3-ol

C12H24N2O2 — CID 66056162

IUPAC5-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrrolidin-3-ol
SMILESCC1CN(CC2CC(O)CN2)CC(C)(C)O1
InChIInChI=1S/C12H24N2O2/c1-9-6-14(8-12(2,3)16-9)7-10-4-11(15)5-13-10/h9-11,13,15H,4-8H2,1-3H3
InChIKeyIMEUTRLEFMYBSJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.21
Rot. Bonds2

About 5-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrrolidin-3-ol

5-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrrolidin-3-ol (PubChem CID 66056162) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrrolidin-3-ol
PubChem CID66056162
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name5-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrrolidin-3-ol
SMILESCC1CN(CC2CC(O)CN2)CC(C)(C)O1
InChIInChI=1S/C12H24N2O2/c1-9-6-14(8-12(2,3)16-9)7-10-4-11(15)5-13-10/h9-11,13,15H,4-8H2,1-3H3
InChIKeyIMEUTRLEFMYBSJ-UHFFFAOYSA-N
XLogP0.21
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of 5-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrrolidin-3-ol (CID 66056162) is 5-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrrolidin-3-ol is CC1CN(CC2CC(O)CN2)CC(C)(C)O1.
What is the InChIKey of 5-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrrolidin-3-ol?
The InChIKey is IMEUTRLEFMYBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-6-14(8-12(2,3)16-9)7-10-4-11(15)5-13-10/h9-11,13,15H,4-8H2,1-3H3.
What are the key properties of 5-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrrolidin-3-ol?
5-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrrolidin-3-ol has a molecular weight of 228.34 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66056162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).