2-(2-methoxyethylamino)-1-(3-methyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride

C17H27ClN2O2 — CID 119805743

IUPAC2-(2-methoxyethylamino)-1-(3-methyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride
SMILESCOCCNCC(=O)N1CCC(c2ccccc2)C(C)C1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-14-13-19(17(20)12-18-9-11-21-2)10-8-16(14)15-6-4-3-5-7-15;/h3-7,14,16,18H,8-13H2,1-2H3;1H
InChIKeyFVKVNTPEXYLVIB-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.30
Rot. Bonds6

About 2-(2-methoxyethylamino)-1-(3-methyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride

2-(2-methoxyethylamino)-1-(3-methyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride (PubChem CID 119805743) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-1-(3-methyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-1-(3-methyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride
PubChem CID119805743
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name2-(2-methoxyethylamino)-1-(3-methyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride
SMILESCOCCNCC(=O)N1CCC(c2ccccc2)C(C)C1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-14-13-19(17(20)12-18-9-11-21-2)10-8-16(14)15-6-4-3-5-7-15;/h3-7,14,16,18H,8-13H2,1-2H3;1H
InChIKeyFVKVNTPEXYLVIB-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.30
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-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 119817687
2-(2-methoxyethylamino)-1-(2-methyl-6-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119751382
2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
N-benzyl-1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxamide
CID 119692938
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 107217441
2-(2-methoxyethylamino)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103532856
2-(2-methoxyethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 54773459
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 112625104
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 79281115
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(2-methoxyethylamino)ethanone
CID 78914134
1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79280949

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-1-(3-methyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(2-methoxyethylamino)-1-(3-methyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride (CID 119805743) is 2-(2-methoxyethylamino)-1-(3-methyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethylamino)-1-(3-methyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(2-methoxyethylamino)-1-(3-methyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride is COCCNCC(=O)N1CCC(c2ccccc2)C(C)C1.Cl.
What is the InChIKey of 2-(2-methoxyethylamino)-1-(3-methyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is FVKVNTPEXYLVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-14-13-19(17(20)12-18-9-11-21-2)10-8-16(14)15-6-4-3-5-7-15;/h3-7,14,16,18H,8-13H2,1-2H3;1H.
What are the key properties of 2-(2-methoxyethylamino)-1-(3-methyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride?
2-(2-methoxyethylamino)-1-(3-methyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-1-(3-methyl-4-phenylpiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119805743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).