2,2,6,6-Tetramethyl-4-[3-(trimethylammonio)propoxy]-1-piperidinyloxy

C15H32N2O2+ — CID 169449560

IUPAC—
SMILESCC1(C)CC(OCCC[N+](C)(C)C)CC(C)(C)N1[O]
InChIInChI=1S/C15H32N2O2/c1-14(2)11-13(12-15(3,4)16(14)18)19-10-8-9-17(5,6)7/h13H,8-12H2,1-7H3/q+1
InChIKeyHMXMXARTEKVDLC-UHFFFAOYSA-N
MW272.43 g/mol
LogP2.47
Rot. Bonds5

About 2,2,6,6-Tetramethyl-4-[3-(trimethylammonio)propoxy]-1-piperidinyloxy

2,2,6,6-Tetramethyl-4-[3-(trimethylammonio)propoxy]-1-piperidinyloxy (PubChem CID 169449560) has the molecular formula C15H32N2O2+ and a molecular weight of 272.43 g/mol.

Molecular Properties

Compound Name2,2,6,6-Tetramethyl-4-[3-(trimethylammonio)propoxy]-1-piperidinyloxy
PubChem CID169449560
Molecular FormulaC15H32N2O2+
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name—
SMILESCC1(C)CC(OCCC[N+](C)(C)C)CC(C)(C)N1[O]
InChIInChI=1S/C15H32N2O2/c1-14(2)11-13(12-15(3,4)16(14)18)19-10-8-9-17(5,6)7/h13H,8-12H2,1-7H3/q+1
InChIKeyHMXMXARTEKVDLC-UHFFFAOYSA-N
XLogP2.47
TPSA32.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,2,6,6-Tetramethyl-4-[3-(trimethylammonio)propoxy]-1-piperidinyloxy?
The IUPAC name of 2,2,6,6-Tetramethyl-4-[3-(trimethylammonio)propoxy]-1-piperidinyloxy (CID 169449560) is not available.
What is the SMILES notation for 2,2,6,6-Tetramethyl-4-[3-(trimethylammonio)propoxy]-1-piperidinyloxy?
The canonical SMILES for 2,2,6,6-Tetramethyl-4-[3-(trimethylammonio)propoxy]-1-piperidinyloxy is CC1(C)CC(OCCC[N+](C)(C)C)CC(C)(C)N1[O].
What is the InChIKey of 2,2,6,6-Tetramethyl-4-[3-(trimethylammonio)propoxy]-1-piperidinyloxy?
The InChIKey is HMXMXARTEKVDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-14(2)11-13(12-15(3,4)16(14)18)19-10-8-9-17(5,6)7/h13H,8-12H2,1-7H3/q+1.
What are the key properties of 2,2,6,6-Tetramethyl-4-[3-(trimethylammonio)propoxy]-1-piperidinyloxy?
2,2,6,6-Tetramethyl-4-[3-(trimethylammonio)propoxy]-1-piperidinyloxy has a molecular weight of 272.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-Tetramethyl-4-[3-(trimethylammonio)propoxy]-1-piperidinyloxy is sourced from PubChem (CID 169449560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).