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

C13H24ClN2O2- — CID 53351287

IUPAC2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone chloride
SMILESCC1CC(C)CN(CC(=O)N2CCOCC2)C1.[Cl-]
InChIInChI=1S/C13H24N2O2.ClH/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;1H/p-1
InChIKeyAQEJGVXFFOXNFX-UHFFFAOYSA-M
MW275.80 g/mol
LogP-2.17
Rot. Bonds2

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

2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone chloride (PubChem CID 53351287) has the molecular formula C13H24ClN2O2- and a molecular weight of 275.80 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone chloride.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone chloride
PubChem CID53351287
Molecular FormulaC13H24ClN2O2-
Molecular Weight275.80 g/mol
Exact Mass275.15
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone chloride
SMILESCC1CC(C)CN(CC(=O)N2CCOCC2)C1.[Cl-]
InChIInChI=1S/C13H24N2O2.ClH/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;1H/p-1
InChIKeyAQEJGVXFFOXNFX-UHFFFAOYSA-M
XLogP-2.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.80
LogP ≤ 5-2.17
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 chloride?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone chloride (CID 53351287) is 2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone chloride.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone chloride?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone chloride is CC1CC(C)CN(CC(=O)N2CCOCC2)C1.[Cl-].
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone chloride?
The InChIKey is AQEJGVXFFOXNFX-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H24N2O2.ClH/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;1H/p-1.
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone chloride?
2-(3,5-dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone chloride has a molecular weight of 275.80 g/mol, XLogP of -2.17, 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 chloride is sourced from PubChem (CID 53351287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).