1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one

C12H21NO2 — CID 130532303

IUPAC1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one
SMILESCC1CN(C2CCCC2(C)O)CCC1=O
InChIInChI=1S/C12H21NO2/c1-9-8-13(7-5-10(9)14)11-4-3-6-12(11,2)15/h9,11,15H,3-8H2,1-2H3
InChIKeyKRJUGRDYLYAYHK-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.20
Rot. Bonds1

About 1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one

1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one (PubChem CID 130532303) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one
PubChem CID130532303
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one
SMILESCC1CN(C2CCCC2(C)O)CCC1=O
InChIInChI=1S/C12H21NO2/c1-9-8-13(7-5-10(9)14)11-4-3-6-12(11,2)15/h9,11,15H,3-8H2,1-2H3
InChIKeyKRJUGRDYLYAYHK-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one?
The IUPAC name of 1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one (CID 130532303) is 1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one.
What is the SMILES notation for 1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one?
The canonical SMILES for 1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one is CC1CN(C2CCCC2(C)O)CCC1=O.
What is the InChIKey of 1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one?
The InChIKey is KRJUGRDYLYAYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-8-13(7-5-10(9)14)11-4-3-6-12(11,2)15/h9,11,15H,3-8H2,1-2H3.
What are the key properties of 1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one?
1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one has a molecular weight of 211.30 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-methylcyclopentyl)-3-methylpiperidin-4-one is sourced from PubChem (CID 130532303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).