5,5-dimethyl-3-(piperidin-4-ylmethylamino)cyclohex-2-en-1-one

C14H24N2O — CID 557615

IUPAC5,5-dimethyl-3-(piperidin-4-ylmethylamino)cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(NCC2CCNCC2)C1
InChIInChI=1S/C14H24N2O/c1-14(2)8-12(7-13(17)9-14)16-10-11-3-5-15-6-4-11/h7,11,15-16H,3-6,8-10H2,1-2H3
InChIKeyGZAMZXZKUKFMAI-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.85
Rot. Bonds3

About 5,5-dimethyl-3-(piperidin-4-ylmethylamino)cyclohex-2-en-1-one

5,5-dimethyl-3-(piperidin-4-ylmethylamino)cyclohex-2-en-1-one (PubChem CID 557615) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5,5-dimethyl-3-(piperidin-4-ylmethylamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name5,5-dimethyl-3-(piperidin-4-ylmethylamino)cyclohex-2-en-1-one
PubChem CID557615
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5,5-dimethyl-3-(piperidin-4-ylmethylamino)cyclohex-2-en-1-one
SMILESCC1(C)CC(=O)C=C(NCC2CCNCC2)C1
InChIInChI=1S/C14H24N2O/c1-14(2)8-12(7-13(17)9-14)16-10-11-3-5-15-6-4-11/h7,11,15-16H,3-6,8-10H2,1-2H3
InChIKeyGZAMZXZKUKFMAI-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5,5-dimethyl-3-(piperidin-4-ylmethylamino)cyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(octylamino)cyclohex-2-en-1-one
CID 3448281
5,5-Dimethyl-3-(2-piperazin-1-yl-ethylamino)-cyclohex-2-enone
CID 777230
5,5-Dimethyl-3-((2,2,6,6-tetramethylpiperidin-4-yl)amino)cyclohex-2-enone
CID 777398
3-({8-[(5,5-Dimethyl-3-oxocyclohex-1-enyl)amino]octyl}amino)-5,5-dimethylcyclohex-2-en-1-one
CID 317103
5,5-Dimethyl-3-(methylamino)-2-cyclohexen-1-one
CID 136541
3-(Cycloheptylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 2856644
3-(Cyclooctylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 5110555
5,5-Dimethyl-3-piperazin-1-yl-cyclohex-2-enone
CID 648131
3-(Cyclohexylamino)-5,5-dimethylcyclohex-2-en-1-one
CID 137041
3-{[3-(Cyclohexylamino)propyl]amino}-5,5-dimethylcyclohex-2-en-1-one
CID 3127108

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(piperidin-4-ylmethylamino)cyclohex-2-en-1-one?
The IUPAC name of 5,5-dimethyl-3-(piperidin-4-ylmethylamino)cyclohex-2-en-1-one (CID 557615) is 5,5-dimethyl-3-(piperidin-4-ylmethylamino)cyclohex-2-en-1-one.
What is the SMILES notation for 5,5-dimethyl-3-(piperidin-4-ylmethylamino)cyclohex-2-en-1-one?
The canonical SMILES for 5,5-dimethyl-3-(piperidin-4-ylmethylamino)cyclohex-2-en-1-one is CC1(C)CC(=O)C=C(NCC2CCNCC2)C1.
What is the InChIKey of 5,5-dimethyl-3-(piperidin-4-ylmethylamino)cyclohex-2-en-1-one?
The InChIKey is GZAMZXZKUKFMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2)8-12(7-13(17)9-14)16-10-11-3-5-15-6-4-11/h7,11,15-16H,3-6,8-10H2,1-2H3.
What are the key properties of 5,5-dimethyl-3-(piperidin-4-ylmethylamino)cyclohex-2-en-1-one?
5,5-dimethyl-3-(piperidin-4-ylmethylamino)cyclohex-2-en-1-one has a molecular weight of 236.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(piperidin-4-ylmethylamino)cyclohex-2-en-1-one is sourced from PubChem (CID 557615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).