4-amino-1-methylpiperidin-2-one

C6H12N2O — CID 52911267

IUPAC4-amino-1-methylpiperidin-2-one
SMILESCN1CCC(N)CC1=O
InChIInChI=1S/C6H12N2O/c1-8-3-2-5(7)4-6(8)9/h5H,2-4,7H2,1H3
InChIKeyLWTXSDPDYITAAF-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.43
Rot. Bonds

About 4-amino-1-methylpiperidin-2-one

4-amino-1-methylpiperidin-2-one (PubChem CID 52911267) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 4-amino-1-methylpiperidin-2-one.

Molecular Properties

Compound Name4-amino-1-methylpiperidin-2-one
PubChem CID52911267
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name4-amino-1-methylpiperidin-2-one
SMILESCN1CCC(N)CC1=O
InChIInChI=1S/C6H12N2O/c1-8-3-2-5(7)4-6(8)9/h5H,2-4,7H2,1H3
InChIKeyLWTXSDPDYITAAF-UHFFFAOYSA-N
XLogP-0.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpiperidin-2-one?
The IUPAC name of 4-amino-1-methylpiperidin-2-one (CID 52911267) is 4-amino-1-methylpiperidin-2-one.
What is the SMILES notation for 4-amino-1-methylpiperidin-2-one?
The canonical SMILES for 4-amino-1-methylpiperidin-2-one is CN1CCC(N)CC1=O.
What is the InChIKey of 4-amino-1-methylpiperidin-2-one?
The InChIKey is LWTXSDPDYITAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-8-3-2-5(7)4-6(8)9/h5H,2-4,7H2,1H3.
What are the key properties of 4-amino-1-methylpiperidin-2-one?
4-amino-1-methylpiperidin-2-one has a molecular weight of 128.17 g/mol, XLogP of -0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methylpiperidin-2-one is sourced from PubChem (CID 52911267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).