trimethyl-[2-[(2R,6S)-1,1,6-trimethylpiperidin-1-ium-2-carbonyl]oxyethyl]azanium

C14H30N2O2+2 — CID 76962904

IUPACtrimethyl-[2-[(2R,6S)-1,1,6-trimethylpiperidin-1-ium-2-carbonyl]oxyethyl]azanium
SMILESC[C@H]1CCC[C@H](C(=O)OCC[N+](C)(C)C)[N+]1(C)C
InChIInChI=1S/C14H30N2O2/c1-12-8-7-9-13(16(12,5)6)14(17)18-11-10-15(2,3)4/h12-13H,7-11H2,1-6H3/q+2/t12-,13+/m0/s1
InChIKeyZRPJBDLMSFSJJW-QWHCGFSZSA-N
MW258.41 g/mol
LogP1.25
Rot. Bonds4

About trimethyl-[2-[(2R,6S)-1,1,6-trimethylpiperidin-1-ium-2-carbonyl]oxyethyl]azanium

trimethyl-[2-[(2R,6S)-1,1,6-trimethylpiperidin-1-ium-2-carbonyl]oxyethyl]azanium (PubChem CID 76962904) has the molecular formula C14H30N2O2+2 and a molecular weight of 258.41 g/mol. Its IUPAC name is trimethyl-[2-[(2R,6S)-1,1,6-trimethylpiperidin-1-ium-2-carbonyl]oxyethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-[(2R,6S)-1,1,6-trimethylpiperidin-1-ium-2-carbonyl]oxyethyl]azanium
PubChem CID76962904
Molecular FormulaC14H30N2O2+2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nametrimethyl-[2-[(2R,6S)-1,1,6-trimethylpiperidin-1-ium-2-carbonyl]oxyethyl]azanium
SMILESC[C@H]1CCC[C@H](C(=O)OCC[N+](C)(C)C)[N+]1(C)C
InChIInChI=1S/C14H30N2O2/c1-12-8-7-9-13(16(12,5)6)14(17)18-11-10-15(2,3)4/h12-13H,7-11H2,1-6H3/q+2/t12-,13+/m0/s1
InChIKeyZRPJBDLMSFSJJW-QWHCGFSZSA-N
XLogP1.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trimethyl-[2-[(2R,6S)-1,1,6-trimethylpiperidin-1-ium-2-carbonyl]oxyethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1,1-dimethylpiperidin-1-ium-3-carbonyl)oxyethyl-trimethylazanium
CID 3065836
barium(2+);2-carbamoyloxyethyl(trimethyl)azanium
CID 88516621
2-acetyloxyethyl(trimethyl)azanium;phosphane
CID 172811747
butyl-[2-(cyclopentanecarbonyloxy)ethyl]-ethyl-propylazanium;2-(cyclohexanecarbonyloxy)ethyl-triethylazanium;2-(cyclohexanecarbonyloxy)ethyl-trimethylazanium;2-(cyclopentanecarbonyloxy)ethyl-ethyl-dipropylazanium;2-(cyclopentanecarbonyloxy)ethyl-triethylazanium;2-(cyclopentanecarbonyloxy)ethyl-trimethylazanium
CID 159610142
CID 158732412
CID 158732412
2-(2,2-dimethyl-1,3-thiazolidine-4-carbonyl)oxyethyl-trimethylazanium
CID 23582199
2-[(4S)-2,2-dimethyl-1,3-thiazolidin-3-ide-4-carbonyl]oxyethyl-trimethylazanium
CID 11311175
2-acetyloxyethyl(trimethyl)azanium;hydrogen sulfate
CID 71365429
trimethyl-[2-(2-methylpropanoyloxy)ethyl]azanium chloride
CID 139213202
azane;2-carbamoyloxyethyl(trimethyl)azanium;chloride;hydrochloride
CID 174427776
2-methylprop-2-enamide;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride
CID 6455489
trimethyl-[2-[8-oxo-8-[2-(trimethylazaniumyl)ethoxy]octanoyl]oxyethyl]azanium;hydrochloride
CID 133112697

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(2R,6S)-1,1,6-trimethylpiperidin-1-ium-2-carbonyl]oxyethyl]azanium?
The IUPAC name of trimethyl-[2-[(2R,6S)-1,1,6-trimethylpiperidin-1-ium-2-carbonyl]oxyethyl]azanium (CID 76962904) is trimethyl-[2-[(2R,6S)-1,1,6-trimethylpiperidin-1-ium-2-carbonyl]oxyethyl]azanium.
What is the SMILES notation for trimethyl-[2-[(2R,6S)-1,1,6-trimethylpiperidin-1-ium-2-carbonyl]oxyethyl]azanium?
The canonical SMILES for trimethyl-[2-[(2R,6S)-1,1,6-trimethylpiperidin-1-ium-2-carbonyl]oxyethyl]azanium is C[C@H]1CCC[C@H](C(=O)OCC[N+](C)(C)C)[N+]1(C)C.
What is the InChIKey of trimethyl-[2-[(2R,6S)-1,1,6-trimethylpiperidin-1-ium-2-carbonyl]oxyethyl]azanium?
The InChIKey is ZRPJBDLMSFSJJW-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-12-8-7-9-13(16(12,5)6)14(17)18-11-10-15(2,3)4/h12-13H,7-11H2,1-6H3/q+2/t12-,13+/m0/s1.
What are the key properties of trimethyl-[2-[(2R,6S)-1,1,6-trimethylpiperidin-1-ium-2-carbonyl]oxyethyl]azanium?
trimethyl-[2-[(2R,6S)-1,1,6-trimethylpiperidin-1-ium-2-carbonyl]oxyethyl]azanium has a molecular weight of 258.41 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(2R,6S)-1,1,6-trimethylpiperidin-1-ium-2-carbonyl]oxyethyl]azanium is sourced from PubChem (CID 76962904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).