1-(2-aminoethyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethylpiperidin-2-one

C12H22N4O — CID 59469266

IUPAC1-(2-aminoethyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethylpiperidin-2-one
SMILESCC1(C)CC(C2=NCCN2)CN(CCN)C1=O
InChIInChI=1S/C12H22N4O/c1-12(2)7-9(10-14-4-5-15-10)8-16(6-3-13)11(12)17/h9H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyCNWXYQVEHZQGHU-UHFFFAOYSA-N
MW238.33 g/mol
LogP-0.18
Rot. Bonds3

About 1-(2-aminoethyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethylpiperidin-2-one

1-(2-aminoethyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethylpiperidin-2-one (PubChem CID 59469266) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethylpiperidin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethylpiperidin-2-one
PubChem CID59469266
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-(2-aminoethyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethylpiperidin-2-one
SMILESCC1(C)CC(C2=NCCN2)CN(CCN)C1=O
InChIInChI=1S/C12H22N4O/c1-12(2)7-9(10-14-4-5-15-10)8-16(6-3-13)11(12)17/h9H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyCNWXYQVEHZQGHU-UHFFFAOYSA-N
XLogP-0.18
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethylpiperidin-2-one?
The IUPAC name of 1-(2-aminoethyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethylpiperidin-2-one (CID 59469266) is 1-(2-aminoethyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethylpiperidin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethylpiperidin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethylpiperidin-2-one is CC1(C)CC(C2=NCCN2)CN(CCN)C1=O.
What is the InChIKey of 1-(2-aminoethyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethylpiperidin-2-one?
The InChIKey is CNWXYQVEHZQGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2)7-9(10-14-4-5-15-10)8-16(6-3-13)11(12)17/h9H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-aminoethyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethylpiperidin-2-one?
1-(2-aminoethyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethylpiperidin-2-one has a molecular weight of 238.33 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5-(4,5-dihydro-1H-imidazol-2-yl)-3,3-dimethylpiperidin-2-one is sourced from PubChem (CID 59469266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).