2-methyl-3-piperidin-1-yl-5-prop-1-en-2-ylcyclohex-2-en-1-one

C15H23NO — CID 139832424

IUPAC2-methyl-3-piperidin-1-yl-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1CC(=O)C(C)=C(N2CCCCC2)C1
InChIInChI=1S/C15H23NO/c1-11(2)13-9-14(12(3)15(17)10-13)16-7-5-4-6-8-16/h13H,1,4-10H2,2-3H3
InChIKeyGHBXUFNRDUCCBS-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.30
Rot. Bonds2

About 2-methyl-3-piperidin-1-yl-5-prop-1-en-2-ylcyclohex-2-en-1-one

2-methyl-3-piperidin-1-yl-5-prop-1-en-2-ylcyclohex-2-en-1-one (PubChem CID 139832424) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-methyl-3-piperidin-1-yl-5-prop-1-en-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-methyl-3-piperidin-1-yl-5-prop-1-en-2-ylcyclohex-2-en-1-one
PubChem CID139832424
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-methyl-3-piperidin-1-yl-5-prop-1-en-2-ylcyclohex-2-en-1-one
SMILESC=C(C)C1CC(=O)C(C)=C(N2CCCCC2)C1
InChIInChI=1S/C15H23NO/c1-11(2)13-9-14(12(3)15(17)10-13)16-7-5-4-6-8-16/h13H,1,4-10H2,2-3H3
InChIKeyGHBXUFNRDUCCBS-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5,5-Dimethyl-3-(piperidino)cyclohex-2-en-1-one
CID 139441
5,5-Dimethyl-3-(diethylamino)cyclohex-2-en-1-one
CID 144103
3-[4-(Aminomethyl)-4-fluoropiperidin-1-yl]-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 156762867
2-Cyclohexen-1-one, 5,5-dimethyl-3-(4-methyl-1-piperazinyl)-
CID 3658300
Aziridinylcarvone
CID 164185850
6,6-Dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one
CID 824750
2-Cyclohexen-1-one, 3,5,5-trimethyl-2-(1-piperidinyl)-
CID 896429
5,5-Dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one;hydroiodide
CID 24189808
2,5,5-Trimethyl-3-piperidin-1-ylcyclohex-2-en-1-one;hydrochloride
CID 24189812
3-(3,5-Dimethylpiperidin-1-yl)-5,5-dimethylcyclohex-2-en-1-one
CID 21679361
1-Methyl-2,3,4,4a,5,6-hexahydroquinolin-7-one
CID 82652427
3-(1-Propyl-piperidin-3-yl)-cyclohex-2-enone
CID 9964524

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-piperidin-1-yl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The IUPAC name of 2-methyl-3-piperidin-1-yl-5-prop-1-en-2-ylcyclohex-2-en-1-one (CID 139832424) is 2-methyl-3-piperidin-1-yl-5-prop-1-en-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 2-methyl-3-piperidin-1-yl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 2-methyl-3-piperidin-1-yl-5-prop-1-en-2-ylcyclohex-2-en-1-one is C=C(C)C1CC(=O)C(C)=C(N2CCCCC2)C1.
What is the InChIKey of 2-methyl-3-piperidin-1-yl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
The InChIKey is GHBXUFNRDUCCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)13-9-14(12(3)15(17)10-13)16-7-5-4-6-8-16/h13H,1,4-10H2,2-3H3.
What are the key properties of 2-methyl-3-piperidin-1-yl-5-prop-1-en-2-ylcyclohex-2-en-1-one?
2-methyl-3-piperidin-1-yl-5-prop-1-en-2-ylcyclohex-2-en-1-one has a molecular weight of 233.35 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-piperidin-1-yl-5-prop-1-en-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 139832424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).