1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride

C13H27ClN2O2 — CID 119789092

IUPAC1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
SMILESCCC1(C)CCCN(C(=O)CNCCOC)C1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-4-13(2)6-5-8-15(11-13)12(16)10-14-7-9-17-3;/h14H,4-11H2,1-3H3;1H
InChIKeyVBBFRKNDLJRPJJ-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.68
Rot. Bonds6

About 1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride

1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride (PubChem CID 119789092) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is 1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
PubChem CID119789092
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Name1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
SMILESCCC1(C)CCCN(C(=O)CNCCOC)C1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-4-13(2)6-5-8-15(11-13)12(16)10-14-7-9-17-3;/h14H,4-11H2,1-3H3;1H
InChIKeyVBBFRKNDLJRPJJ-UHFFFAOYSA-N
XLogP1.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride
CID 119734708
1-(3,3-dimethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281129
2-amino-1-(3-ethyl-3-methylpiperidin-1-yl)-3-methoxypropan-1-one;hydrochloride
CID 120991246
1-(3-ethyl-3-methylpiperidin-1-yl)propan-1-one
CID 127370172
1-(2,2-dimethylmorpholin-4-yl)-2-(2-methoxyethylamino)ethanone
CID 79282191
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281707
3-amino-1-(3-ethyl-3-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119789084
1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981476
2-(2-methoxyethylamino)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79281462
2-(2-methoxyethylamino)-1-(1,4-thiazepan-4-yl)ethanone
CID 79282673
1-(3-ethylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281481
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride?
The IUPAC name of 1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride (CID 119789092) is 1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride?
The canonical SMILES for 1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride is CCC1(C)CCCN(C(=O)CNCCOC)C1.Cl.
What is the InChIKey of 1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride?
The InChIKey is VBBFRKNDLJRPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-4-13(2)6-5-8-15(11-13)12(16)10-14-7-9-17-3;/h14H,4-11H2,1-3H3;1H.
What are the key properties of 1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride?
1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-3-methylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone;hydrochloride is sourced from PubChem (CID 119789092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).