1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one

C13H26N2O — CID 114506515

IUPAC1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCC(NC)C(CC)C1
InChIInChI=1S/C13H26N2O/c1-5-10(3)13(16)15-8-7-12(14-4)11(6-2)9-15/h10-12,14H,5-9H2,1-4H3
InChIKeyOFPRGUQGXUAGJX-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds4

About 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one

1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one (PubChem CID 114506515) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one.

Molecular Properties

Compound Name1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one
PubChem CID114506515
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one
SMILESCCC(C)C(=O)N1CCC(NC)C(CC)C1
InChIInChI=1S/C13H26N2O/c1-5-10(3)13(16)15-8-7-12(14-4)11(6-2)9-15/h10-12,14H,5-9H2,1-4H3
InChIKeyOFPRGUQGXUAGJX-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

(4,4-difluorocyclohexyl)-[3-ethyl-4-(methylamino)piperidin-1-yl]methanone
CID 114506510
1-[3-ethyl-4-(propylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 114449206
2-cyclobutyl-1-[3-ethyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161335
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methoxy-2-phenylethanone
CID 114506492
3-ethyl-N,1-dimethylpiperidin-4-amine
CID 114507994
N-butyl-3-ethyl-4-(methylamino)piperidine-1-carboxamide
CID 114507061
2-[3-ethyl-4-(methylamino)piperidin-1-yl]-N-pentan-3-ylpropanamide
CID 114507963
2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 119560583
N-cyclopropyl-2-[3-ethyl-4-(methylamino)piperidin-1-yl]propanamide
CID 114507912
3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol
CID 114507986
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
1-(aziridin-1-yl)-2-methylbutan-1-one
CID 131176339

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one?
The IUPAC name of 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one (CID 114506515) is 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one.
What is the SMILES notation for 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one?
The canonical SMILES for 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one is CCC(C)C(=O)N1CCC(NC)C(CC)C1.
What is the InChIKey of 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one?
The InChIKey is OFPRGUQGXUAGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-10(3)13(16)15-8-7-12(14-4)11(6-2)9-15/h10-12,14H,5-9H2,1-4H3.
What are the key properties of 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one?
1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one has a molecular weight of 226.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(methylamino)piperidin-1-yl]-2-methylbutan-1-one is sourced from PubChem (CID 114506515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).