[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone

C15H28N2O3 — CID 106981354

IUPAC[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)N2CC(CO)OC(C)(C)C2)CCNC1
InChIInChI=1S/C15H28N2O3/c1-11(2)15(5-6-16-9-15)13(19)17-7-12(8-18)20-14(3,4)10-17/h11-12,16,18H,5-10H2,1-4H3
InChIKeyAJWNIUWGMCUYLM-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.62
Rot. Bonds3

About [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone

[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone (PubChem CID 106981354) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
PubChem CID106981354
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
SMILESCC(C)C1(C(=O)N2CC(CO)OC(C)(C)C2)CCNC1
InChIInChI=1S/C15H28N2O3/c1-11(2)15(5-6-16-9-15)13(19)17-7-12(8-18)20-14(3,4)10-17/h11-12,16,18H,5-10H2,1-4H3
InChIKeyAJWNIUWGMCUYLM-UHFFFAOYSA-N
XLogP0.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 114776715
(3,4-dimethylpyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980906
[1-(aminomethyl)cyclopentyl]-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776550
(3,4-dimethoxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981410
(4-ethyl-4-methylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980650
(3-hydroxypyrrolidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980620
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981172
2-(1-aminocyclohexyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114776775
(3-ethyl-4-methylpiperazin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980687
1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one
CID 166408409
8-azaspiro[4.5]decan-8-yl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106980652
(4-hydroxy-3-methylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106981349

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The IUPAC name of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone (CID 106981354) is [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The canonical SMILES for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone is CC(C)C1(C(=O)N2CC(CO)OC(C)(C)C2)CCNC1.
What is the InChIKey of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone?
The InChIKey is AJWNIUWGMCUYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)15(5-6-16-9-15)13(19)17-7-12(8-18)20-14(3,4)10-17/h11-12,16,18H,5-10H2,1-4H3.
What are the key properties of [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone?
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone has a molecular weight of 284.40 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-propan-2-ylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 106981354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).