1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone

C14H28N2O2 — CID 79280949

IUPAC1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-14(2,3)12-5-8-16(9-6-12)13(17)11-15-7-10-18-4/h12,15H,5-11H2,1-4H3
InChIKeyDZYLZRQZXILSNL-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.51
Rot. Bonds5

About 1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone

1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone (PubChem CID 79280949) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone.

Molecular Properties

Compound Name1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
PubChem CID79280949
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
SMILESCOCCNCC(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-14(2,3)12-5-8-16(9-6-12)13(17)11-15-7-10-18-4/h12,15H,5-11H2,1-4H3
InChIKeyDZYLZRQZXILSNL-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.51
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

2-(2-methoxyethylamino)-1-(4-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119675101
1-[2-(2-methoxyethylamino)acetyl]piperidine-4-carboxylic acid
CID 79280780
1-(4-tert-butylpiperidin-1-yl)-2-(ethylamino)ethanone
CID 62084699
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 107217441
tert-butyl 2-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]oxyacetate
CID 18925471
2-(2-methoxyethylamino)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103532856
1-(4-tert-butylpiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119762682
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-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea
CID 119750507
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(2-methoxyethylamino)ethanone
CID 78914134
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281707

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone?
The IUPAC name of 1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone (CID 79280949) is 1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone.
What is the SMILES notation for 1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone?
The canonical SMILES for 1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone is COCCNCC(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone?
The InChIKey is DZYLZRQZXILSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-14(2,3)12-5-8-16(9-6-12)13(17)11-15-7-10-18-4/h12,15H,5-11H2,1-4H3.
What are the key properties of 1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone?
1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone has a molecular weight of 256.39 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone is sourced from PubChem (CID 79280949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).