5,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-ol

C12H24N2O2 — CID 117017917

IUPAC5,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-ol
SMILESCC1(C)CC(O)CN1CCN1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-12(2)9-11(15)10-14(12)4-3-13-5-7-16-8-6-13/h11,15H,3-10H2,1-2H3
InChIKeyQGUNMFQWZADGLO-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.16
Rot. Bonds3

About 5,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-ol

5,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-ol (PubChem CID 117017917) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 5,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-ol
PubChem CID117017917
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name5,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-ol
SMILESCC1(C)CC(O)CN1CCN1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-12(2)9-11(15)10-14(12)4-3-13-5-7-16-8-6-13/h11,15H,3-10H2,1-2H3
InChIKeyQGUNMFQWZADGLO-UHFFFAOYSA-N
XLogP0.16
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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 5,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-ol?
The IUPAC name of 5,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-ol (CID 117017917) is 5,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-ol.
What is the SMILES notation for 5,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-ol?
The canonical SMILES for 5,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-ol is CC1(C)CC(O)CN1CCN1CCOCC1.
What is the InChIKey of 5,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-ol?
The InChIKey is QGUNMFQWZADGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2)9-11(15)10-14(12)4-3-13-5-7-16-8-6-13/h11,15H,3-10H2,1-2H3.
What are the key properties of 5,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-ol?
5,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-ol has a molecular weight of 228.34 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(2-morpholin-4-ylethyl)pyrrolidin-3-ol is sourced from PubChem (CID 117017917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).