6,6-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one

C13H21NO — CID 824750

IUPAC6,6-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one
SMILESCC1(C)CCC(N2CCCCC2)=CC1=O
InChIInChI=1S/C13H21NO/c1-13(2)7-6-11(10-12(13)15)14-8-4-3-5-9-14/h10H,3-9H2,1-2H3
InChIKeyAAUOFYDDKPOTRZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.75
Rot. Bonds1

About 6,6-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one

6,6-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one (PubChem CID 824750) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 6,6-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6,6-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one
PubChem CID824750
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name6,6-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one
SMILESCC1(C)CCC(N2CCCCC2)=CC1=O
InChIInChI=1S/C13H21NO/c1-13(2)7-6-11(10-12(13)15)14-8-4-3-5-9-14/h10H,3-9H2,1-2H3
InChIKeyAAUOFYDDKPOTRZ-UHFFFAOYSA-N
XLogP2.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Dimethyl-3-pyrrolidino-2-cyclohexen-1-one
CID 137903
5,5-Dimethyl-3-morpholino-2-cyclohexen-1-one
CID 725658
5,5-Dimethyl-3-(n-propylamino)cyclohex-2-en-1-one
CID 143371
5,5-Dimethyl-3-(piperidino)cyclohex-2-en-1-one
CID 139441
5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone
CID 777230
2-Cyclohexenone,3-(N,N-dimethylamino)-5,5-dimethyl-
CID 141609
5,5-Dimethyl-3-piperazin-1-yl-cyclohex-2-enone
CID 648131
3-(Cyclohexylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 137041
3-(4,4-Dimethylpiperazin-4-ium-1-yl)cyclohex-2-en-1-one iodide
CID 11045952
5,5-Dimethyl-3-(diethylamino)cyclohex-2-en-1-one
CID 144103
5,5-Dimethyl-3-(i-propylamino)cyclohex-2-en-1-one
CID 144925
ST50979434
CID 319578

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one?
The IUPAC name of 6,6-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one (CID 824750) is 6,6-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one.
What is the SMILES notation for 6,6-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one?
The canonical SMILES for 6,6-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one is CC1(C)CCC(N2CCCCC2)=CC1=O.
What is the InChIKey of 6,6-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one?
The InChIKey is AAUOFYDDKPOTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(2)7-6-11(10-12(13)15)14-8-4-3-5-9-14/h10H,3-9H2,1-2H3.
What are the key properties of 6,6-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one?
6,6-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one has a molecular weight of 207.32 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one is sourced from PubChem (CID 824750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).