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

C12H21NO — CID 12954052

IUPAC2-methyl-2-piperidin-1-ylcyclohexan-1-one
SMILESCC1(N2CCCCC2)CCCCC1=O
InChIInChI=1S/C12H21NO/c1-12(8-4-3-7-11(12)14)13-9-5-2-6-10-13/h2-10H2,1H3
InChIKeyBYWCNKUEIBGONP-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.37
Rot. Bonds1

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

2-methyl-2-piperidin-1-ylcyclohexan-1-one (PubChem CID 12954052) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-ylcyclohexan-1-one
PubChem CID12954052
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-methyl-2-piperidin-1-ylcyclohexan-1-one
SMILESCC1(N2CCCCC2)CCCCC1=O
InChIInChI=1S/C12H21NO/c1-12(8-4-3-7-11(12)14)13-9-5-2-6-10-13/h2-10H2,1H3
InChIKeyBYWCNKUEIBGONP-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-ylcyclohexan-1-one?
The IUPAC name of 2-methyl-2-piperidin-1-ylcyclohexan-1-one (CID 12954052) is 2-methyl-2-piperidin-1-ylcyclohexan-1-one.
What is the SMILES notation for 2-methyl-2-piperidin-1-ylcyclohexan-1-one?
The canonical SMILES for 2-methyl-2-piperidin-1-ylcyclohexan-1-one is CC1(N2CCCCC2)CCCCC1=O.
What is the InChIKey of 2-methyl-2-piperidin-1-ylcyclohexan-1-one?
The InChIKey is BYWCNKUEIBGONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(8-4-3-7-11(12)14)13-9-5-2-6-10-13/h2-10H2,1H3.
What are the key properties of 2-methyl-2-piperidin-1-ylcyclohexan-1-one?
2-methyl-2-piperidin-1-ylcyclohexan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-ylcyclohexan-1-one is sourced from PubChem (CID 12954052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).