diformyl-(2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]azanium

C26H51N4O2+ — CID 89494691

IUPACdiformyl-(2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]azanium
SMILESCC1(C)CC(NCCCCCC[N+](C=O)(C=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C26H51N4O2/c1-23(2)15-21(16-24(3,4)28-23)27-13-11-9-10-12-14-30(19-31,20-32)22-17-25(5,6)29-26(7,8)18-22/h19-22,27-29H,9-18H2,1-8H3/q+1
InChIKeyYFNIXVIOFHZQAZ-UHFFFAOYSA-N
MW451.72 g/mol
LogP3.88
Rot. Bonds11

About diformyl-(2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]azanium

diformyl-(2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]azanium (PubChem CID 89494691) has the molecular formula C26H51N4O2+ and a molecular weight of 451.72 g/mol. Its IUPAC name is diformyl-(2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]azanium.

Molecular Properties

Compound Namediformyl-(2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]azanium
PubChem CID89494691
Molecular FormulaC26H51N4O2+
Molecular Weight451.72 g/mol
Exact Mass451.40
IUPAC Namediformyl-(2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]azanium
SMILESCC1(C)CC(NCCCCCC[N+](C=O)(C=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C26H51N4O2/c1-23(2)15-21(16-24(3,4)28-23)27-13-11-9-10-12-14-30(19-31,20-32)22-17-25(5,6)29-26(7,8)18-22/h19-22,27-29H,9-18H2,1-8H3/q+1
InChIKeyYFNIXVIOFHZQAZ-UHFFFAOYSA-N
XLogP3.88
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.72
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 diformyl-(2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]azanium?
The IUPAC name of diformyl-(2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]azanium (CID 89494691) is diformyl-(2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]azanium.
What is the SMILES notation for diformyl-(2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]azanium?
The canonical SMILES for diformyl-(2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]azanium is CC1(C)CC(NCCCCCC[N+](C=O)(C=O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of diformyl-(2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]azanium?
The InChIKey is YFNIXVIOFHZQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51N4O2/c1-23(2)15-21(16-24(3,4)28-23)27-13-11-9-10-12-14-30(19-31,20-32)22-17-25(5,6)29-26(7,8)18-22/h19-22,27-29H,9-18H2,1-8H3/q+1.
What are the key properties of diformyl-(2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]azanium?
diformyl-(2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]azanium has a molecular weight of 451.72 g/mol, XLogP of 3.88, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diformyl-(2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]azanium is sourced from PubChem (CID 89494691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).