3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium chloride

C15H33ClN2O2 — CID 170906970

IUPAC3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium chloride
SMILESCC1(C)CC(OCCC[N+](C)(C)C)CC(C)(C)N1O.[Cl-]
InChIInChI=1S/C15H33N2O2.ClH/c1-14(2)11-13(12-15(3,4)16(14)18)19-10-8-9-17(5,6)7;/h13,18H,8-12H2,1-7H3;1H/q+1;/p-1
InChIKeyDVMGCJSFKRKXFX-UHFFFAOYSA-M
MW308.89 g/mol
LogP-0.49
Rot. Bonds5

About 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium chloride

3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium chloride (PubChem CID 170906970) has the molecular formula C15H33ClN2O2 and a molecular weight of 308.89 g/mol. Its IUPAC name is 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium chloride.

Molecular Properties

Compound Name3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium chloride
PubChem CID170906970
Molecular FormulaC15H33ClN2O2
Molecular Weight308.89 g/mol
Exact Mass308.22
IUPAC Name3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium chloride
SMILESCC1(C)CC(OCCC[N+](C)(C)C)CC(C)(C)N1O.[Cl-]
InChIInChI=1S/C15H33N2O2.ClH/c1-14(2)11-13(12-15(3,4)16(14)18)19-10-8-9-17(5,6)7;/h13,18H,8-12H2,1-7H3;1H/q+1;/p-1
InChIKeyDVMGCJSFKRKXFX-UHFFFAOYSA-M
XLogP-0.49
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.89
LogP ≤ 5-0.49
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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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium chloride?
The IUPAC name of 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium chloride (CID 170906970) is 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium chloride.
What is the SMILES notation for 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium chloride?
The canonical SMILES for 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium chloride is CC1(C)CC(OCCC[N+](C)(C)C)CC(C)(C)N1O.[Cl-].
What is the InChIKey of 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium chloride?
The InChIKey is DVMGCJSFKRKXFX-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H33N2O2.ClH/c1-14(2)11-13(12-15(3,4)16(14)18)19-10-8-9-17(5,6)7;/h13,18H,8-12H2,1-7H3;1H/q+1;/p-1.
What are the key properties of 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium chloride?
3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium chloride has a molecular weight of 308.89 g/mol, XLogP of -0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl-trimethylazanium chloride is sourced from PubChem (CID 170906970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).