1-[1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-amine

C26H54N4O2 — CID 23372122

IUPAC1-[1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCCCCCCCC(ON1C(C)(C)CC(N)CC1(C)C)ON1C(C)(C)CC(N)CC1(C)C
InChIInChI=1S/C26H54N4O2/c1-10-11-12-13-14-15-22(31-29-23(2,3)16-20(27)17-24(29,4)5)32-30-25(6,7)18-21(28)19-26(30,8)9/h20-22H,10-19,27-28H2,1-9H3
InChIKeyHXZNYZPSMVJVEB-UHFFFAOYSA-N
MW454.74 g/mol
LogP5.50
Rot. Bonds10

About 1-[1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-amine

1-[1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 23372122) has the molecular formula C26H54N4O2 and a molecular weight of 454.74 g/mol. Its IUPAC name is 1-[1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID23372122
Molecular FormulaC26H54N4O2
Molecular Weight454.74 g/mol
Exact Mass454.42
IUPAC Name1-[1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCCCCCCCC(ON1C(C)(C)CC(N)CC1(C)C)ON1C(C)(C)CC(N)CC1(C)C
InChIInChI=1S/C26H54N4O2/c1-10-11-12-13-14-15-22(31-29-23(2,3)16-20(27)17-24(29,4)5)32-30-25(6,7)18-21(28)19-26(30,8)9/h20-22H,10-19,27-28H2,1-9H3
InChIKeyHXZNYZPSMVJVEB-UHFFFAOYSA-N
XLogP5.50
TPSA76.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.74
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-butyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 19905643
2-(2,2,6,6-tetramethylpiperidin-1-yl)oxyoctan-1-amine
CID 62705896
1-(2,2-dimethylcyclopropyl)octylhydrazine
CID 107005603
3-[1,5-bis[(1-butoxy-2,2,5,5-tetramethylpyrrolidin-3-yl)oxy]pentoxy]-1-butoxy-2,2,5,5-tetramethylpyrrolidine
CID 122414997
2,2,6,6-tetramethyl-1-octoxypiperidin-4-ol
CID 11346683
1-(2,2-dimethylcyclopropyl)-N-propylundecan-1-amine
CID 107004336
1,1-dimethyl-2-(2-methylnonan-3-yl)cyclopropane
CID 123682782
1,2,2,6,6-pentamethyl-4-(3-methylundec-1-en-2-yloxy)piperidine
CID 134316434
1,1-dimethoxytetradecane
CID 13265409
bis(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl) 2-heptylpropanedioate
CID 20778574
1-N,1-N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)hexane-1,1-diamine
CID 141204239
ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 143602726

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of 1-[1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-amine (CID 23372122) is 1-[1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for 1-[1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-amine is CCCCCCCC(ON1C(C)(C)CC(N)CC1(C)C)ON1C(C)(C)CC(N)CC1(C)C.
What is the InChIKey of 1-[1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is HXZNYZPSMVJVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54N4O2/c1-10-11-12-13-14-15-22(31-29-23(2,3)16-20(27)17-24(29,4)5)32-30-25(6,7)18-21(28)19-26(30,8)9/h20-22H,10-19,27-28H2,1-9H3.
What are the key properties of 1-[1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-amine?
1-[1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 454.74 g/mol, XLogP of 5.50, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-amino-2,2,6,6-tetramethylpiperidin-1-yl)oxyoctoxy]-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 23372122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).