1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one

C13H26N2O — CID 62931262

IUPAC1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C13H26N2O/c1-6-14-13(4,5)11(16)15-9-7-12(2,3)8-10-15/h14H,6-10H2,1-5H3
InChIKeyMKEQCVRMYXQACA-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds3

About 1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one

1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one (PubChem CID 62931262) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one
PubChem CID62931262
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one
SMILESCCNC(C)(C)C(=O)N1CCC(C)(C)CC1
InChIInChI=1S/C13H26N2O/c1-6-14-13(4,5)11(16)15-9-7-12(2,3)8-10-15/h14H,6-10H2,1-5H3
InChIKeyMKEQCVRMYXQACA-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one (CID 62931262) is 1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one is CCNC(C)(C)C(=O)N1CCC(C)(C)CC1.
What is the InChIKey of 1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one?
The InChIKey is MKEQCVRMYXQACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-14-13(4,5)11(16)15-9-7-12(2,3)8-10-15/h14H,6-10H2,1-5H3.
What are the key properties of 1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one?
1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 62931262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).