1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one

C15H28N2O — CID 104748210

IUPAC1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
SMILESCNC(CN1CCCC(C)C1=O)C1CCCCC1
InChIInChI=1S/C15H28N2O/c1-12-7-6-10-17(15(12)18)11-14(16-2)13-8-4-3-5-9-13/h12-14,16H,3-11H2,1-2H3
InChIKeyUDTKSNJAKHVCJS-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.41
Rot. Bonds4

About 1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one

1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one (PubChem CID 104748210) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
PubChem CID104748210
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
SMILESCNC(CN1CCCC(C)C1=O)C1CCCCC1
InChIInChI=1S/C15H28N2O/c1-12-7-6-10-17(15(12)18)11-14(16-2)13-8-4-3-5-9-13/h12-14,16H,3-11H2,1-2H3
InChIKeyUDTKSNJAKHVCJS-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one?
The IUPAC name of 1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one (CID 104748210) is 1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one.
What is the SMILES notation for 1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one?
The canonical SMILES for 1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one is CNC(CN1CCCC(C)C1=O)C1CCCCC1.
What is the InChIKey of 1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one?
The InChIKey is UDTKSNJAKHVCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12-7-6-10-17(15(12)18)11-14(16-2)13-8-4-3-5-9-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one?
1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one has a molecular weight of 252.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one is sourced from PubChem (CID 104748210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).