2-methyl-1-(2-methylcyclopentyl)piperidin-4-one

C12H21NO — CID 63281253

IUPAC2-methyl-1-(2-methylcyclopentyl)piperidin-4-one
SMILESCC1CCCC1N1CCC(=O)CC1C
InChIInChI=1S/C12H21NO/c1-9-4-3-5-12(9)13-7-6-11(14)8-10(13)2/h9-10,12H,3-8H2,1-2H3
InChIKeyYUESDBYIDVQDTR-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds1

About 2-methyl-1-(2-methylcyclopentyl)piperidin-4-one

2-methyl-1-(2-methylcyclopentyl)piperidin-4-one (PubChem CID 63281253) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-methyl-1-(2-methylcyclopentyl)piperidin-4-one.

Molecular Properties

Compound Name2-methyl-1-(2-methylcyclopentyl)piperidin-4-one
PubChem CID63281253
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-methyl-1-(2-methylcyclopentyl)piperidin-4-one
SMILESCC1CCCC1N1CCC(=O)CC1C
InChIInChI=1S/C12H21NO/c1-9-4-3-5-12(9)13-7-6-11(14)8-10(13)2/h9-10,12H,3-8H2,1-2H3
InChIKeyYUESDBYIDVQDTR-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylcyclopentyl)piperidin-4-one?
The IUPAC name of 2-methyl-1-(2-methylcyclopentyl)piperidin-4-one (CID 63281253) is 2-methyl-1-(2-methylcyclopentyl)piperidin-4-one.
What is the SMILES notation for 2-methyl-1-(2-methylcyclopentyl)piperidin-4-one?
The canonical SMILES for 2-methyl-1-(2-methylcyclopentyl)piperidin-4-one is CC1CCCC1N1CCC(=O)CC1C.
What is the InChIKey of 2-methyl-1-(2-methylcyclopentyl)piperidin-4-one?
The InChIKey is YUESDBYIDVQDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-4-3-5-12(9)13-7-6-11(14)8-10(13)2/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-methyl-1-(2-methylcyclopentyl)piperidin-4-one?
2-methyl-1-(2-methylcyclopentyl)piperidin-4-one has a molecular weight of 195.31 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylcyclopentyl)piperidin-4-one is sourced from PubChem (CID 63281253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).