5-methyl-2-piperidin-2-ylcyclohexane-1,3-dione

C12H19NO2 — CID 130595743

IUPAC5-methyl-2-piperidin-2-ylcyclohexane-1,3-dione
SMILESCC1CC(=O)C(C2CCCCN2)C(=O)C1
InChIInChI=1S/C12H19NO2/c1-8-6-10(14)12(11(15)7-8)9-4-2-3-5-13-9/h8-9,12-13H,2-7H2,1H3
InChIKeyAJSLJRCZTFQUKK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.31
Rot. Bonds1

About 5-methyl-2-piperidin-2-ylcyclohexane-1,3-dione

5-methyl-2-piperidin-2-ylcyclohexane-1,3-dione (PubChem CID 130595743) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-methyl-2-piperidin-2-ylcyclohexane-1,3-dione.

Molecular Properties

Compound Name5-methyl-2-piperidin-2-ylcyclohexane-1,3-dione
PubChem CID130595743
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name5-methyl-2-piperidin-2-ylcyclohexane-1,3-dione
SMILESCC1CC(=O)C(C2CCCCN2)C(=O)C1
InChIInChI=1S/C12H19NO2/c1-8-6-10(14)12(11(15)7-8)9-4-2-3-5-13-9/h8-9,12-13H,2-7H2,1H3
InChIKeyAJSLJRCZTFQUKK-UHFFFAOYSA-N
XLogP1.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(azepan-2-yl)cycloheptane-1,3-dione
CID 107430820
2-pyrrolidin-2-ylcyclohexane-1,3-dione
CID 107430772
4-methyl-2-piperidin-2-ylcyclohexan-1-one
CID 79539174
(3S,6S)-3,6-bis[(2R)-piperidin-2-yl]piperazine-2,5-dione
CID 102319648
2-pyrrolidin-2-ylpiperidine
CID 14810994
4-piperidin-2-ylcyclohexan-1-one
CID 83262290
2-(1-methylpyrrolidin-2-yl)piperidine
CID 14810995
2-methyl-2,8-diazabicyclo[5.5.0]dodecane
CID 130417846
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
CID 92720077
(2R)-2-[(2S)-1-methylpiperidin-2-yl]azepane
CID 124718938
6-methyl-2-(5-methylcyclononyl)azonane
CID 146602825
3-methyl-2-piperidin-2-ylpiperidine
CID 121218618

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperidin-2-ylcyclohexane-1,3-dione?
The IUPAC name of 5-methyl-2-piperidin-2-ylcyclohexane-1,3-dione (CID 130595743) is 5-methyl-2-piperidin-2-ylcyclohexane-1,3-dione.
What is the SMILES notation for 5-methyl-2-piperidin-2-ylcyclohexane-1,3-dione?
The canonical SMILES for 5-methyl-2-piperidin-2-ylcyclohexane-1,3-dione is CC1CC(=O)C(C2CCCCN2)C(=O)C1.
What is the InChIKey of 5-methyl-2-piperidin-2-ylcyclohexane-1,3-dione?
The InChIKey is AJSLJRCZTFQUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-6-10(14)12(11(15)7-8)9-4-2-3-5-13-9/h8-9,12-13H,2-7H2,1H3.
What are the key properties of 5-methyl-2-piperidin-2-ylcyclohexane-1,3-dione?
5-methyl-2-piperidin-2-ylcyclohexane-1,3-dione has a molecular weight of 209.29 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperidin-2-ylcyclohexane-1,3-dione is sourced from PubChem (CID 130595743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).