1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane

C16H36N2O — CID 143141942

IUPAC1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane
SMILESCC.CC.CNC(CN1CCCCC1=O)C(C)(C)C
InChIInChI=1S/C12H24N2O.2C2H6/c1-12(2,3)10(13-4)9-14-8-6-5-7-11(14)15;2*1-2/h10,13H,5-9H2,1-4H3;2*1-2H3
InChIKeyZWVVIQJDXVCXKN-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.69
Rot. Bonds3

About 1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane

1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane (PubChem CID 143141942) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane.

Molecular Properties

Compound Name1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane
PubChem CID143141942
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane
SMILESCC.CC.CNC(CN1CCCCC1=O)C(C)(C)C
InChIInChI=1S/C12H24N2O.2C2H6/c1-12(2,3)10(13-4)9-14-8-6-5-7-11(14)15;2*1-2/h10,13H,5-9H2,1-4H3;2*1-2H3
InChIKeyZWVVIQJDXVCXKN-UHFFFAOYSA-N
XLogP3.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane?
The IUPAC name of 1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane (CID 143141942) is 1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane.
What is the SMILES notation for 1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane?
The canonical SMILES for 1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane is CC.CC.CNC(CN1CCCCC1=O)C(C)(C)C.
What is the InChIKey of 1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane?
The InChIKey is ZWVVIQJDXVCXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.2C2H6/c1-12(2,3)10(13-4)9-14-8-6-5-7-11(14)15;2*1-2/h10,13H,5-9H2,1-4H3;2*1-2H3.
What are the key properties of 1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane?
1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane has a molecular weight of 272.48 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-dimethyl-2-(methylamino)butyl]piperidin-2-one;ethane is sourced from PubChem (CID 143141942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).