1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone

C13H26N2O — CID 83989732

IUPAC1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CC(CC(C)(C)C)CN(C(C)=O)C1
InChIInChI=1S/C13H26N2O/c1-10(16)15-8-11(7-13(2,3)4)6-12(9-15)14-5/h11-12,14H,6-9H2,1-5H3
InChIKeyUROOGZASYDVZLA-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds2

About 1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone

1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone (PubChem CID 83989732) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone
PubChem CID83989732
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CC(CC(C)(C)C)CN(C(C)=O)C1
InChIInChI=1S/C13H26N2O/c1-10(16)15-8-11(7-13(2,3)4)6-12(9-15)14-5/h11-12,14H,6-9H2,1-5H3
InChIKeyUROOGZASYDVZLA-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 83997130
methyl 2-[1-acetyl-5-(methylamino)piperidin-3-yl]acetate
CID 83989738
1-[3-(2-hydroxy-3-methylbutyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989746
3-[1-acetyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]propanoic acid
CID 83995064
N-(1-acetyl-5-ethylpiperidin-3-yl)acetamide
CID 112541798
ethyl N-[1-acetyl-5-(2,2,2-trifluoroethyl)piperidin-3-yl]carbamate
CID 112543848
methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate
CID 83999844
1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 59751401
3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 83997104
1-[3-(1-hydroxyethyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989743
methyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate
CID 83995695
2-[1-acetyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992292

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone (CID 83989732) is 1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone is CNC1CC(CC(C)(C)C)CN(C(C)=O)C1.
What is the InChIKey of 1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone?
The InChIKey is UROOGZASYDVZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-10(16)15-8-11(7-13(2,3)4)6-12(9-15)14-5/h11-12,14H,6-9H2,1-5H3.
What are the key properties of 1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone?
1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone has a molecular weight of 226.36 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 83989732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).