4-methyl-2-piperidin-2-ylcyclohexan-1-one

C12H21NO — CID 79539174

IUPAC4-methyl-2-piperidin-2-ylcyclohexan-1-one
SMILESCC1CCC(=O)C(C2CCCCN2)C1
InChIInChI=1S/C12H21NO/c1-9-5-6-12(14)10(8-9)11-4-2-3-7-13-11/h9-11,13H,2-8H2,1H3
InChIKeyJIQFQIJOOKTBBO-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.13
Rot. Bonds1

About 4-methyl-2-piperidin-2-ylcyclohexan-1-one

4-methyl-2-piperidin-2-ylcyclohexan-1-one (PubChem CID 79539174) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-methyl-2-piperidin-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-2-piperidin-2-ylcyclohexan-1-one
PubChem CID79539174
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-methyl-2-piperidin-2-ylcyclohexan-1-one
SMILESCC1CCC(=O)C(C2CCCCN2)C1
InChIInChI=1S/C12H21NO/c1-9-5-6-12(14)10(8-9)11-4-2-3-7-13-11/h9-11,13H,2-8H2,1H3
InChIKeyJIQFQIJOOKTBBO-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperidin-2-ylcyclohexan-1-one?
The IUPAC name of 4-methyl-2-piperidin-2-ylcyclohexan-1-one (CID 79539174) is 4-methyl-2-piperidin-2-ylcyclohexan-1-one.
What is the SMILES notation for 4-methyl-2-piperidin-2-ylcyclohexan-1-one?
The canonical SMILES for 4-methyl-2-piperidin-2-ylcyclohexan-1-one is CC1CCC(=O)C(C2CCCCN2)C1.
What is the InChIKey of 4-methyl-2-piperidin-2-ylcyclohexan-1-one?
The InChIKey is JIQFQIJOOKTBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-5-6-12(14)10(8-9)11-4-2-3-7-13-11/h9-11,13H,2-8H2,1H3.
What are the key properties of 4-methyl-2-piperidin-2-ylcyclohexan-1-one?
4-methyl-2-piperidin-2-ylcyclohexan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperidin-2-ylcyclohexan-1-one is sourced from PubChem (CID 79539174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).