1-[4-[2-[ethyl(methyl)amino]ethoxy]piperidin-1-yl]-3-methylbutan-2-one

C15H30N2O2 — CID 176579197

IUPAC1-[4-[2-[ethyl(methyl)amino]ethoxy]piperidin-1-yl]-3-methylbutan-2-one
SMILESCCN(C)CCOC1CCN(CC(=O)C(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-5-16(4)10-11-19-14-6-8-17(9-7-14)12-15(18)13(2)3/h13-14H,5-12H2,1-4H3
InChIKeyWBQZEWFJZVDYBK-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.64
Rot. Bonds8

About 1-[4-[2-[ethyl(methyl)amino]ethoxy]piperidin-1-yl]-3-methylbutan-2-one

1-[4-[2-[ethyl(methyl)amino]ethoxy]piperidin-1-yl]-3-methylbutan-2-one (PubChem CID 176579197) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-[4-[2-[ethyl(methyl)amino]ethoxy]piperidin-1-yl]-3-methylbutan-2-one.

Molecular Properties

Compound Name1-[4-[2-[ethyl(methyl)amino]ethoxy]piperidin-1-yl]-3-methylbutan-2-one
PubChem CID176579197
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name1-[4-[2-[ethyl(methyl)amino]ethoxy]piperidin-1-yl]-3-methylbutan-2-one
SMILESCCN(C)CCOC1CCN(CC(=O)C(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-5-16(4)10-11-19-14-6-8-17(9-7-14)12-15(18)13(2)3/h13-14H,5-12H2,1-4H3
InChIKeyWBQZEWFJZVDYBK-UHFFFAOYSA-N
XLogP1.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Piperidinone, 1-(2-ethoxyethyl)-3-methyl-, hydrochloride (1:1)
CID 3066145
3-Methyl-1-morpholin-4-ylbutan-2-one
CID 4355353
1-(2-Ethoxyethyl)-3-methylpiperidin-4-one
CID 3066146
2-Methyl-4-morpholin-4-ylpentan-3-one
CID 58638043
4-Methyl-5-morpholino-pentane-2-one
CID 129771205
1-Morpholin-4-ylpentan-2-one
CID 10749698
4-Methyl-1-morpholin-4-ylpentan-2-one
CID 12595887
2-Methyl-1-morpholin-4-ylpentan-3-one
CID 15642573
2-Methyl-2-morpholin-4-ylpentan-3-one
CID 54029611
2-Methylpropyl 2-(4-oxopiperidin-1-yl)acetate
CID 57159677
4-Methyl-1-morpholin-4-ylpentan-3-one
CID 57617488
3-(Dimethylamino)propyl 2-(4-methylpiperidin-1-yl)acetate
CID 57973340

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[ethyl(methyl)amino]ethoxy]piperidin-1-yl]-3-methylbutan-2-one?
The IUPAC name of 1-[4-[2-[ethyl(methyl)amino]ethoxy]piperidin-1-yl]-3-methylbutan-2-one (CID 176579197) is 1-[4-[2-[ethyl(methyl)amino]ethoxy]piperidin-1-yl]-3-methylbutan-2-one.
What is the SMILES notation for 1-[4-[2-[ethyl(methyl)amino]ethoxy]piperidin-1-yl]-3-methylbutan-2-one?
The canonical SMILES for 1-[4-[2-[ethyl(methyl)amino]ethoxy]piperidin-1-yl]-3-methylbutan-2-one is CCN(C)CCOC1CCN(CC(=O)C(C)C)CC1.
What is the InChIKey of 1-[4-[2-[ethyl(methyl)amino]ethoxy]piperidin-1-yl]-3-methylbutan-2-one?
The InChIKey is WBQZEWFJZVDYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-16(4)10-11-19-14-6-8-17(9-7-14)12-15(18)13(2)3/h13-14H,5-12H2,1-4H3.
What are the key properties of 1-[4-[2-[ethyl(methyl)amino]ethoxy]piperidin-1-yl]-3-methylbutan-2-one?
1-[4-[2-[ethyl(methyl)amino]ethoxy]piperidin-1-yl]-3-methylbutan-2-one has a molecular weight of 270.42 g/mol, XLogP of 1.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[ethyl(methyl)amino]ethoxy]piperidin-1-yl]-3-methylbutan-2-one is sourced from PubChem (CID 176579197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).