1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one

C14H25NO — CID 63996285

IUPAC1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one
SMILESCC1CCC(N2CCC(=O)C(C)C2)C(C)C1
InChIInChI=1S/C14H25NO/c1-10-4-5-13(11(2)8-10)15-7-6-14(16)12(3)9-15/h10-13H,4-9H2,1-3H3
InChIKeyQXQJDXMTWOQTPU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.72
Rot. Bonds1

About 1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one

1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one (PubChem CID 63996285) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one
PubChem CID63996285
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one
SMILESCC1CCC(N2CCC(=O)C(C)C2)C(C)C1
InChIInChI=1S/C14H25NO/c1-10-4-5-13(11(2)8-10)15-7-6-14(16)12(3)9-15/h10-13H,4-9H2,1-3H3
InChIKeyQXQJDXMTWOQTPU-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one?
The IUPAC name of 1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one (CID 63996285) is 1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one.
What is the SMILES notation for 1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one?
The canonical SMILES for 1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one is CC1CCC(N2CCC(=O)C(C)C2)C(C)C1.
What is the InChIKey of 1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one?
The InChIKey is QXQJDXMTWOQTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10-4-5-13(11(2)8-10)15-7-6-14(16)12(3)9-15/h10-13H,4-9H2,1-3H3.
What are the key properties of 1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one?
1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one has a molecular weight of 223.36 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one is sourced from PubChem (CID 63996285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).