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

C12H25ClN2O2 — CID 120991246

IUPAC2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride
SMILESCCC1(C)CCCN(C(=O)C(N)COC)C1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-4-12(2)6-5-7-14(9-12)11(15)10(13)8-16-3;/h10H,4-9,13H2,1-3H3;1H
InChIKeyMOAVGQMWAOOFIE-UHFFFAOYSA-N
MW264.80 g/mol
LogP1.42
Rot. Bonds4

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

2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride (PubChem CID 120991246) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride
PubChem CID120991246
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride
SMILESCCC1(C)CCCN(C(=O)C(N)COC)C1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-4-12(2)6-5-7-14(9-12)11(15)10(13)8-16-3;/h10H,4-9,13H2,1-3H3;1H
InChIKeyMOAVGQMWAOOFIE-UHFFFAOYSA-N
XLogP1.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-3-methoxypropan-1-one
CID 81088783
(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-4-methylpentan-1-one
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(2S)-2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 130762944
1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119789092
2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120989835
3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119789084
(2R)-2-amino-1-(3-methyl-3-propylpiperidin-1-yl)propan-1-one;hydrochloride
CID 119328269
1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 127370172
3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119789061
(2S)-2-amino-1-(3-hydroxy-3-methylpiperidin-1-yl)butan-1-one
CID 104876680

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride (CID 120991246) is 2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride is CCC1(C)CCCN(C(=O)C(N)COC)C1.Cl.
What is the InChIKey of 2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride?
The InChIKey is MOAVGQMWAOOFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-4-12(2)6-5-7-14(9-12)11(15)10(13)8-16-3;/h10H,4-9,13H2,1-3H3;1H.
What are the key properties of 2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride?
2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride is sourced from PubChem (CID 120991246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).