ethyl-dimethyl-[3-[2-(2,2,6,6-tetramethyl-4-propylpiperidin-1-yl)oxypropanoylamino]propyl]azanium

C22H46N3O2+ — CID 89127700

IUPACethyl-dimethyl-[3-[2-(2,2,6,6-tetramethyl-4-propylpiperidin-1-yl)oxypropanoylamino]propyl]azanium
SMILESCCCC1CC(C)(C)N(OC(C)C(=O)NCCC[N+](C)(C)CC)C(C)(C)C1
InChIInChI=1S/C22H45N3O2/c1-10-13-19-16-21(4,5)24(22(6,7)17-19)27-18(3)20(26)23-14-12-15-25(8,9)11-2/h18-19H,10-17H2,1-9H3/p+1
InChIKeyFOKPVAQNLFJNCQ-UHFFFAOYSA-O
MW384.63 g/mol
LogP3.98
Rot. Bonds10

About ethyl-dimethyl-[3-[2-(2,2,6,6-tetramethyl-4-propylpiperidin-1-yl)oxypropanoylamino]propyl]azanium

ethyl-dimethyl-[3-[2-(2,2,6,6-tetramethyl-4-propylpiperidin-1-yl)oxypropanoylamino]propyl]azanium (PubChem CID 89127700) has the molecular formula C22H46N3O2+ and a molecular weight of 384.63 g/mol. Its IUPAC name is ethyl-dimethyl-[3-[2-(2,2,6,6-tetramethyl-4-propylpiperidin-1-yl)oxypropanoylamino]propyl]azanium.

Molecular Properties

Compound Nameethyl-dimethyl-[3-[2-(2,2,6,6-tetramethyl-4-propylpiperidin-1-yl)oxypropanoylamino]propyl]azanium
PubChem CID89127700
Molecular FormulaC22H46N3O2+
Molecular Weight384.63 g/mol
Exact Mass384.36
IUPAC Nameethyl-dimethyl-[3-[2-(2,2,6,6-tetramethyl-4-propylpiperidin-1-yl)oxypropanoylamino]propyl]azanium
SMILESCCCC1CC(C)(C)N(OC(C)C(=O)NCCC[N+](C)(C)CC)C(C)(C)C1
InChIInChI=1S/C22H45N3O2/c1-10-13-19-16-21(4,5)24(22(6,7)17-19)27-18(3)20(26)23-14-12-15-25(8,9)11-2/h18-19H,10-17H2,1-9H3/p+1
InChIKeyFOKPVAQNLFJNCQ-UHFFFAOYSA-O
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.63
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethoxy-[2-(2,2,6,6-tetramethyl-4-propylpiperidin-1-yl)oxyethyl]silane
CID 150270110
ethyl-[3-(2-hydroxyhexadecanoylamino)propyl]-dimethylazanium;ethyl sulfate
CID 139032977
3-acetamidopropyl-dimethyl-(3-trimethoxysilylpropyl)azanium
CID 91556508
3-[3-[[4,6-bis[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propoxy]butan-2-ol
CID 19090185
2-methyl-N-[3-(4-propylpiperidin-1-yl)propyl]butanamide
CID 129181028
3-(adamantane-1-carbonylamino)propyl-dodecyl-dimethylazanium
CID 54370824
tert-butyl 2,2-dimethyl-4-propylpyrrolidine-1-carboxylate
CID 153335647
N-hexyl-2-[1-(hexylamino)-1-oxopropan-2-yl]oxypropanamide
CID 175959027
3-[[2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)oxy-1-hydroxypropyl]amino]propyl-ethyl-dimethylazanium
CID 142844368
CID 11459117
CID 11459117
bis[1-(butylcarbamoyloxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-butylpropanedioate
CID 19892356
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
CID 42082748

Frequently Asked Questions

What is the IUPAC name of ethyl-dimethyl-[3-[2-(2,2,6,6-tetramethyl-4-propylpiperidin-1-yl)oxypropanoylamino]propyl]azanium?
The IUPAC name of ethyl-dimethyl-[3-[2-(2,2,6,6-tetramethyl-4-propylpiperidin-1-yl)oxypropanoylamino]propyl]azanium (CID 89127700) is ethyl-dimethyl-[3-[2-(2,2,6,6-tetramethyl-4-propylpiperidin-1-yl)oxypropanoylamino]propyl]azanium.
What is the SMILES notation for ethyl-dimethyl-[3-[2-(2,2,6,6-tetramethyl-4-propylpiperidin-1-yl)oxypropanoylamino]propyl]azanium?
The canonical SMILES for ethyl-dimethyl-[3-[2-(2,2,6,6-tetramethyl-4-propylpiperidin-1-yl)oxypropanoylamino]propyl]azanium is CCCC1CC(C)(C)N(OC(C)C(=O)NCCC[N+](C)(C)CC)C(C)(C)C1.
What is the InChIKey of ethyl-dimethyl-[3-[2-(2,2,6,6-tetramethyl-4-propylpiperidin-1-yl)oxypropanoylamino]propyl]azanium?
The InChIKey is FOKPVAQNLFJNCQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H45N3O2/c1-10-13-19-16-21(4,5)24(22(6,7)17-19)27-18(3)20(26)23-14-12-15-25(8,9)11-2/h18-19H,10-17H2,1-9H3/p+1.
What are the key properties of ethyl-dimethyl-[3-[2-(2,2,6,6-tetramethyl-4-propylpiperidin-1-yl)oxypropanoylamino]propyl]azanium?
ethyl-dimethyl-[3-[2-(2,2,6,6-tetramethyl-4-propylpiperidin-1-yl)oxypropanoylamino]propyl]azanium has a molecular weight of 384.63 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-dimethyl-[3-[2-(2,2,6,6-tetramethyl-4-propylpiperidin-1-yl)oxypropanoylamino]propyl]azanium is sourced from PubChem (CID 89127700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).