4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde

C26H50N4O2 — CID 141252974

IUPAC4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde
SMILESCC1(C)CC(NCCCCCCNC2CC(C)(C)N(C=O)C(C)(C)C2)CC(C)(C)N1C=O
InChIInChI=1S/C26H50N4O2/c1-23(2)15-21(16-24(3,4)29(23)19-31)27-13-11-9-10-12-14-28-22-17-25(5,6)30(20-32)26(7,8)18-22/h19-22,27-28H,9-18H2,1-8H3
InChIKeyUCQPDHYIKRWISG-UHFFFAOYSA-N
MW450.71 g/mol
LogP4.08
Rot. Bonds11

About 4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde

4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde (PubChem CID 141252974) has the molecular formula C26H50N4O2 and a molecular weight of 450.71 g/mol. Its IUPAC name is 4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde
PubChem CID141252974
Molecular FormulaC26H50N4O2
Molecular Weight450.71 g/mol
Exact Mass450.39
IUPAC Name4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde
SMILESCC1(C)CC(NCCCCCCNC2CC(C)(C)N(C=O)C(C)(C)C2)CC(C)(C)N1C=O
InChIInChI=1S/C26H50N4O2/c1-23(2)15-21(16-24(3,4)29(23)19-31)27-13-11-9-10-12-14-28-22-17-25(5,6)30(20-32)26(7,8)18-22/h19-22,27-28H,9-18H2,1-8H3
InChIKeyUCQPDHYIKRWISG-UHFFFAOYSA-N
XLogP4.08
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.71
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde?
The IUPAC name of 4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde (CID 141252974) is 4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde.
What is the SMILES notation for 4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde?
The canonical SMILES for 4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde is CC1(C)CC(NCCCCCCNC2CC(C)(C)N(C=O)C(C)(C)C2)CC(C)(C)N1C=O.
What is the InChIKey of 4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde?
The InChIKey is UCQPDHYIKRWISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N4O2/c1-23(2)15-21(16-24(3,4)29(23)19-31)27-13-11-9-10-12-14-28-22-17-25(5,6)30(20-32)26(7,8)18-22/h19-22,27-28H,9-18H2,1-8H3.
What are the key properties of 4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde?
4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde has a molecular weight of 450.71 g/mol, XLogP of 4.08, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde is sourced from PubChem (CID 141252974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).