2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one

C10H19NO3 — CID 77474038

IUPAC2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one
SMILESCOC1CCN(C(=O)C(C)OC)CC1
InChIInChI=1S/C10H19NO3/c1-8(13-2)10(12)11-6-4-9(14-3)5-7-11/h8-9H,4-7H2,1-3H3
InChIKeyPPGYQGJTUPDBIZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.66
Rot. Bonds3

About 2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one

2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one (PubChem CID 77474038) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one
PubChem CID77474038
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one
SMILESCOC1CCN(C(=O)C(C)OC)CC1
InChIInChI=1S/C10H19NO3/c1-8(13-2)10(12)11-6-4-9(14-3)5-7-11/h8-9H,4-7H2,1-3H3
InChIKeyPPGYQGJTUPDBIZ-UHFFFAOYSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one?
The IUPAC name of 2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one (CID 77474038) is 2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one is COC1CCN(C(=O)C(C)OC)CC1.
What is the InChIKey of 2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one?
The InChIKey is PPGYQGJTUPDBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(13-2)10(12)11-6-4-9(14-3)5-7-11/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one?
2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one has a molecular weight of 201.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methoxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 77474038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).