5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one

C10H21N3O — CID 79355239

IUPAC5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one
SMILESCC1CC(=O)N(CCN(C)C)CC1N
InChIInChI=1S/C10H21N3O/c1-8-6-10(14)13(7-9(8)11)5-4-12(2)3/h8-9H,4-7,11H2,1-3H3
InChIKeyCJBZLKMKULKAFY-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.26
Rot. Bonds3

About 5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one

5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one (PubChem CID 79355239) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one
PubChem CID79355239
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one
SMILESCC1CC(=O)N(CCN(C)C)CC1N
InChIInChI=1S/C10H21N3O/c1-8-6-10(14)13(7-9(8)11)5-4-12(2)3/h8-9H,4-7,11H2,1-3H3
InChIKeyCJBZLKMKULKAFY-UHFFFAOYSA-N
XLogP-0.26
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one?
The IUPAC name of 5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one (CID 79355239) is 5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one.
What is the SMILES notation for 5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one?
The canonical SMILES for 5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one is CC1CC(=O)N(CCN(C)C)CC1N.
What is the InChIKey of 5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one?
The InChIKey is CJBZLKMKULKAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8-6-10(14)13(7-9(8)11)5-4-12(2)3/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one?
5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one has a molecular weight of 199.30 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(dimethylamino)ethyl]-4-methylpiperidin-2-one is sourced from PubChem (CID 79355239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).