[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium

C19H40N2O4P+ — CID 123908460

IUPAC[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium
SMILESCCCCN(C1CC(C)(C)N(OC)C(C)(C)C1)[P+](=O)OCC(C)(C)CO
InChIInChI=1S/C19H40N2O4P/c1-9-10-11-20(26(23)25-15-17(2,3)14-22)16-12-18(4,5)21(24-8)19(6,7)13-16/h16,22H,9-15H2,1-8H3/q+1
InChIKeyRMTQYSJOIOLPRN-UHFFFAOYSA-N
MW391.51 g/mol
LogP4.36
Rot. Bonds10

About [butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium

[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium (PubChem CID 123908460) has the molecular formula C19H40N2O4P+ and a molecular weight of 391.51 g/mol. Its IUPAC name is [butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium.

Molecular Properties

Compound Name[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium
PubChem CID123908460
Molecular FormulaC19H40N2O4P+
Molecular Weight391.51 g/mol
Exact Mass391.27
IUPAC Name[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium
SMILESCCCCN(C1CC(C)(C)N(OC)C(C)(C)C1)[P+](=O)OCC(C)(C)CO
InChIInChI=1S/C19H40N2O4P/c1-9-10-11-20(26(23)25-15-17(2,3)14-22)16-12-18(4,5)21(24-8)19(6,7)13-16/h16,22H,9-15H2,1-8H3/q+1
InChIKeyRMTQYSJOIOLPRN-UHFFFAOYSA-N
XLogP4.36
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium?
The IUPAC name of [butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium (CID 123908460) is [butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium.
What is the SMILES notation for [butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium?
The canonical SMILES for [butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium is CCCCN(C1CC(C)(C)N(OC)C(C)(C)C1)[P+](=O)OCC(C)(C)CO.
What is the InChIKey of [butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium?
The InChIKey is RMTQYSJOIOLPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O4P/c1-9-10-11-20(26(23)25-15-17(2,3)14-22)16-12-18(4,5)21(24-8)19(6,7)13-16/h16,22H,9-15H2,1-8H3/q+1.
What are the key properties of [butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium?
[butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium has a molecular weight of 391.51 g/mol, XLogP of 4.36, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl-(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-(3-hydroxy-2,2-dimethylpropoxy)-oxophosphanium is sourced from PubChem (CID 123908460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).