2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone

C13H24N2O2 — CID 3229435

IUPAC2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone
SMILESCC1CC(C)CN(CC(=O)N2CCOCC2)C1
InChIInChI=1S/C13H24N2O2/c1-11-7-12(2)9-14(8-11)10-13(16)15-3-5-17-6-4-15/h11-12H,3-10H2,1-2H3
InChIKeyPARNJTTUKNYKRT-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.82
Rot. Bonds2

About 2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone

2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone (PubChem CID 3229435) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone
PubChem CID3229435
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone
SMILESCC1CC(C)CN(CC(=O)N2CCOCC2)C1
InChIInChI=1S/C13H24N2O2/c1-11-7-12(2)9-14(8-11)10-13(16)15-3-5-17-6-4-15/h11-12H,3-10H2,1-2H3
InChIKeyPARNJTTUKNYKRT-UHFFFAOYSA-N
XLogP0.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone (CID 3229435) is 2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone is CC1CC(C)CN(CC(=O)N2CCOCC2)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is PARNJTTUKNYKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11-7-12(2)9-14(8-11)10-13(16)15-3-5-17-6-4-15/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone?
2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 240.35 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 3229435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).