5,5-dimethyl-3-[methyl(piperidin-1-yl)amino]cyclohex-2-en-1-one

C14H24N2O — CID 67588638

IUPAC5,5-dimethyl-3-[methyl(piperidin-1-yl)amino]cyclohex-2-en-1-one
SMILESCN(C1=CC(=O)CC(C)(C)C1)N1CCCCC1
InChIInChI=1S/C14H24N2O/c1-14(2)10-12(9-13(17)11-14)15(3)16-7-5-4-6-8-16/h9H,4-8,10-11H2,1-3H3
InChIKeyNUXRTGLAJNLSMP-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.59
Rot. Bonds2

About 5,5-dimethyl-3-[methyl(piperidin-1-yl)amino]cyclohex-2-en-1-one

5,5-dimethyl-3-[methyl(piperidin-1-yl)amino]cyclohex-2-en-1-one (PubChem CID 67588638) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-[methyl(piperidin-1-yl)amino]cyclohex-2-en-1-one.

Molecular Properties

Compound Name5,5-dimethyl-3-[methyl(piperidin-1-yl)amino]cyclohex-2-en-1-one
PubChem CID67588638
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5,5-dimethyl-3-[methyl(piperidin-1-yl)amino]cyclohex-2-en-1-one
SMILESCN(C1=CC(=O)CC(C)(C)C1)N1CCCCC1
InChIInChI=1S/C14H24N2O/c1-14(2)10-12(9-13(17)11-14)15(3)16-7-5-4-6-8-16/h9H,4-8,10-11H2,1-3H3
InChIKeyNUXRTGLAJNLSMP-UHFFFAOYSA-N
XLogP2.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-Dimethyl-3-pyrrolidino-2-cyclohexen-1-one
CID 137903
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
5,5-Dimethyl-3-(diethylamino)cyclohex-2-en-1-one
CID 144103
3,3'-(Piperazine-1,4-diyl)bis(5,5-dimethylcyclohex-2-enone)
CID 648648
5,5-Dimethyl-3-[(piperidin-4-ylmethyl)amino]cyclohex-2-en-1-one
CID 557615
2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)-
CID 3658300
3-(Azetidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one
CID 21679360
3-[Amino(methyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 15669873
6,6-Dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one
CID 824750

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[methyl(piperidin-1-yl)amino]cyclohex-2-en-1-one?
The IUPAC name of 5,5-dimethyl-3-[methyl(piperidin-1-yl)amino]cyclohex-2-en-1-one (CID 67588638) is 5,5-dimethyl-3-[methyl(piperidin-1-yl)amino]cyclohex-2-en-1-one.
What is the SMILES notation for 5,5-dimethyl-3-[methyl(piperidin-1-yl)amino]cyclohex-2-en-1-one?
The canonical SMILES for 5,5-dimethyl-3-[methyl(piperidin-1-yl)amino]cyclohex-2-en-1-one is CN(C1=CC(=O)CC(C)(C)C1)N1CCCCC1.
What is the InChIKey of 5,5-dimethyl-3-[methyl(piperidin-1-yl)amino]cyclohex-2-en-1-one?
The InChIKey is NUXRTGLAJNLSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2)10-12(9-13(17)11-14)15(3)16-7-5-4-6-8-16/h9H,4-8,10-11H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-[methyl(piperidin-1-yl)amino]cyclohex-2-en-1-one?
5,5-dimethyl-3-[methyl(piperidin-1-yl)amino]cyclohex-2-en-1-one has a molecular weight of 236.36 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[methyl(piperidin-1-yl)amino]cyclohex-2-en-1-one is sourced from PubChem (CID 67588638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).