2-[2-(dimethylamino)ethyl]-6-methylpiperidin-4-one

C10H20N2O — CID 82406498

IUPAC2-[2-(dimethylamino)ethyl]-6-methylpiperidin-4-one
SMILESCC1CC(=O)CC(CCN(C)C)N1
InChIInChI=1S/C10H20N2O/c1-8-6-10(13)7-9(11-8)4-5-12(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyHTAGYWCMSMGZRG-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.65
Rot. Bonds3

About 2-[2-(dimethylamino)ethyl]-6-methylpiperidin-4-one

2-[2-(dimethylamino)ethyl]-6-methylpiperidin-4-one (PubChem CID 82406498) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-6-methylpiperidin-4-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-6-methylpiperidin-4-one
PubChem CID82406498
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-[2-(dimethylamino)ethyl]-6-methylpiperidin-4-one
SMILESCC1CC(=O)CC(CCN(C)C)N1
InChIInChI=1S/C10H20N2O/c1-8-6-10(13)7-9(11-8)4-5-12(2)3/h8-9,11H,4-7H2,1-3H3
InChIKeyHTAGYWCMSMGZRG-UHFFFAOYSA-N
XLogP0.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-6-methylpiperidin-4-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-6-methylpiperidin-4-one (CID 82406498) is 2-[2-(dimethylamino)ethyl]-6-methylpiperidin-4-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-6-methylpiperidin-4-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-6-methylpiperidin-4-one is CC1CC(=O)CC(CCN(C)C)N1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-6-methylpiperidin-4-one?
The InChIKey is HTAGYWCMSMGZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8-6-10(13)7-9(11-8)4-5-12(2)3/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-6-methylpiperidin-4-one?
2-[2-(dimethylamino)ethyl]-6-methylpiperidin-4-one has a molecular weight of 184.28 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-6-methylpiperidin-4-one is sourced from PubChem (CID 82406498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).