5-amino-1-methylpiperidin-2-one;methane

C7H16N2O — CID 178188727

IUPAC5-amino-1-methylpiperidin-2-one;methane
SMILESC.CN1CC(N)CCC1=O
InChIInChI=1S/C6H12N2O.CH4/c1-8-4-5(7)2-3-6(8)9;/h5H,2-4,7H2,1H3;1H4
InChIKeyDESNOJPONROFBA-UHFFFAOYSA-N
MW144.22 g/mol
LogP0.20
Rot. Bonds

About 5-amino-1-methylpiperidin-2-one;methane

5-amino-1-methylpiperidin-2-one;methane (PubChem CID 178188727) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 5-amino-1-methylpiperidin-2-one;methane.

Molecular Properties

Compound Name5-amino-1-methylpiperidin-2-one;methane
PubChem CID178188727
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name5-amino-1-methylpiperidin-2-one;methane
SMILESC.CN1CC(N)CCC1=O
InChIInChI=1S/C6H12N2O.CH4/c1-8-4-5(7)2-3-6(8)9;/h5H,2-4,7H2,1H3;1H4
InChIKeyDESNOJPONROFBA-UHFFFAOYSA-N
XLogP0.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methylpiperidin-2-one;methane?
The IUPAC name of 5-amino-1-methylpiperidin-2-one;methane (CID 178188727) is 5-amino-1-methylpiperidin-2-one;methane.
What is the SMILES notation for 5-amino-1-methylpiperidin-2-one;methane?
The canonical SMILES for 5-amino-1-methylpiperidin-2-one;methane is C.CN1CC(N)CCC1=O.
What is the InChIKey of 5-amino-1-methylpiperidin-2-one;methane?
The InChIKey is DESNOJPONROFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.CH4/c1-8-4-5(7)2-3-6(8)9;/h5H,2-4,7H2,1H3;1H4.
What are the key properties of 5-amino-1-methylpiperidin-2-one;methane?
5-amino-1-methylpiperidin-2-one;methane has a molecular weight of 144.22 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methylpiperidin-2-one;methane is sourced from PubChem (CID 178188727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).