3-methyl-1-(4-methyloxan-4-yl)piperidin-4-one

C12H21NO2 — CID 59683260

IUPAC3-methyl-1-(4-methyloxan-4-yl)piperidin-4-one
SMILESCC1CN(C2(C)CCOCC2)CCC1=O
InChIInChI=1S/C12H21NO2/c1-10-9-13(6-3-11(10)14)12(2)4-7-15-8-5-12/h10H,3-9H2,1-2H3
InChIKeyHHHSYDKFXVHBRC-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.47
Rot. Bonds1

About 3-methyl-1-(4-methyloxan-4-yl)piperidin-4-one

3-methyl-1-(4-methyloxan-4-yl)piperidin-4-one (PubChem CID 59683260) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-methyl-1-(4-methyloxan-4-yl)piperidin-4-one.

Molecular Properties

Compound Name3-methyl-1-(4-methyloxan-4-yl)piperidin-4-one
PubChem CID59683260
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-methyl-1-(4-methyloxan-4-yl)piperidin-4-one
SMILESCC1CN(C2(C)CCOCC2)CCC1=O
InChIInChI=1S/C12H21NO2/c1-10-9-13(6-3-11(10)14)12(2)4-7-15-8-5-12/h10H,3-9H2,1-2H3
InChIKeyHHHSYDKFXVHBRC-UHFFFAOYSA-N
XLogP1.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methyloxan-4-yl)piperidin-4-one?
The IUPAC name of 3-methyl-1-(4-methyloxan-4-yl)piperidin-4-one (CID 59683260) is 3-methyl-1-(4-methyloxan-4-yl)piperidin-4-one.
What is the SMILES notation for 3-methyl-1-(4-methyloxan-4-yl)piperidin-4-one?
The canonical SMILES for 3-methyl-1-(4-methyloxan-4-yl)piperidin-4-one is CC1CN(C2(C)CCOCC2)CCC1=O.
What is the InChIKey of 3-methyl-1-(4-methyloxan-4-yl)piperidin-4-one?
The InChIKey is HHHSYDKFXVHBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10-9-13(6-3-11(10)14)12(2)4-7-15-8-5-12/h10H,3-9H2,1-2H3.
What are the key properties of 3-methyl-1-(4-methyloxan-4-yl)piperidin-4-one?
3-methyl-1-(4-methyloxan-4-yl)piperidin-4-one has a molecular weight of 211.30 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methyloxan-4-yl)piperidin-4-one is sourced from PubChem (CID 59683260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).