2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one

C12H24N2O2 — CID 81088783

IUPAC2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one
SMILESCCC1(C)CCN(C(=O)C(N)COC)CC1
InChIInChI=1S/C12H24N2O2/c1-4-12(2)5-7-14(8-6-12)11(15)10(13)9-16-3/h10H,4-9,13H2,1-3H3
InChIKeyKFDOETMZCAFAJO-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds4

About 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one

2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one (PubChem CID 81088783) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one
PubChem CID81088783
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one
SMILESCCC1(C)CCN(C(=O)C(N)COC)CC1
InChIInChI=1S/C12H24N2O2/c1-4-12(2)5-7-14(8-6-12)11(15)10(13)9-16-3/h10H,4-9,13H2,1-3H3
InChIKeyKFDOETMZCAFAJO-UHFFFAOYSA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-ethyl-3-methylpyrrolidin-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120992499
2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120991246
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)hexan-1-one
CID 63163139
1-(4-ethyl-4-methylpiperidin-1-yl)-2-methoxypropan-1-one
CID 112688285
(2S,3S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 63160102
(2S)-2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methylbutan-1-one
CID 63160186
2-chloro-1-(4-ethyl-4-methylpiperidin-1-yl)propan-1-one
CID 63158562
2-amino-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-methoxypropan-1-one
CID 120990934
2-(4-ethyl-4-methylpiperidine-1-carbonyl)-3-methylbutanethioamide
CID 63161688
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668146
4-(4-ethyl-4-methylpiperidin-1-yl)-2,3-dimethyl-4-oxobutanoic acid
CID 103498360
2-amino-3-methoxy-1-(1,4-thiazepan-4-yl)propan-1-one;hydrochloride
CID 120986257

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one (CID 81088783) is 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one is CCC1(C)CCN(C(=O)C(N)COC)CC1.
What is the InChIKey of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one?
The InChIKey is KFDOETMZCAFAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-12(2)5-7-14(8-6-12)11(15)10(13)9-16-3/h10H,4-9,13H2,1-3H3.
What are the key properties of 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one?
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one has a molecular weight of 228.34 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one is sourced from PubChem (CID 81088783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).