1-butyl-4-[4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-(2,2,6,6-tetramethyl-1-pentylpiperidin-4-yl)oxycyclohexyl]oxy-2,2,6,6-tetramethylpiperidine

C46H89N3O3 — CID 139317451

IUPAC1-butyl-4-[4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-(2,2,6,6-tetramethyl-1-pentylpiperidin-4-yl)oxycyclohexyl]oxy-2,2,6,6-tetramethylpiperidine
SMILESCCCCCN1C(C)(C)CC(OC2CC(OC3CC(C)(C)N(CCCC)C(C)(C)C3)CCC2OC2CC(C)(C)N(CCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C46H89N3O3/c1-16-19-22-27-49-45(12,13)33-38(34-46(49,14)15)52-40-28-35(50-36-29-41(4,5)47(25-20-17-2)42(6,7)30-36)23-24-39(40)51-37-31-43(8,9)48(26-21-18-3)44(10,11)32-37/h35-40H,16-34H2,1-15H3
InChIKeyYCYKNTSUBZSZTK-UHFFFAOYSA-N
MW732.24 g/mol
LogP11.18
Rot. Bonds16

About 1-butyl-4-[4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-(2,2,6,6-tetramethyl-1-pentylpiperidin-4-yl)oxycyclohexyl]oxy-2,2,6,6-tetramethylpiperidine

1-butyl-4-[4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-(2,2,6,6-tetramethyl-1-pentylpiperidin-4-yl)oxycyclohexyl]oxy-2,2,6,6-tetramethylpiperidine (PubChem CID 139317451) has the molecular formula C46H89N3O3 and a molecular weight of 732.24 g/mol. Its IUPAC name is 1-butyl-4-[4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-(2,2,6,6-tetramethyl-1-pentylpiperidin-4-yl)oxycyclohexyl]oxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-butyl-4-[4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-(2,2,6,6-tetramethyl-1-pentylpiperidin-4-yl)oxycyclohexyl]oxy-2,2,6,6-tetramethylpiperidine
PubChem CID139317451
Molecular FormulaC46H89N3O3
Molecular Weight732.24 g/mol
Exact Mass731.69
IUPAC Name1-butyl-4-[4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-(2,2,6,6-tetramethyl-1-pentylpiperidin-4-yl)oxycyclohexyl]oxy-2,2,6,6-tetramethylpiperidine
SMILESCCCCCN1C(C)(C)CC(OC2CC(OC3CC(C)(C)N(CCCC)C(C)(C)C3)CCC2OC2CC(C)(C)N(CCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C46H89N3O3/c1-16-19-22-27-49-45(12,13)33-38(34-46(49,14)15)52-40-28-35(50-36-29-41(4,5)47(25-20-17-2)42(6,7)30-36)23-24-39(40)51-37-31-43(8,9)48(26-21-18-3)44(10,11)32-37/h35-40H,16-34H2,1-15H3
InChIKeyYCYKNTSUBZSZTK-UHFFFAOYSA-N
XLogP11.18
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.24
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-butyl-4-[4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-(2,2,6,6-tetramethyl-1-pentylpiperidin-4-yl)oxycyclohexyl]oxy-2,2,6,6-tetramethylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl) (E)-but-2-enoate
CID 139832038
1-hexyl-4-[2-[2-(1-hexyl-2,2,6,6-tetramethylpiperidin-4-yl)ethenoxy]ethenyl]-2,2,6,6-tetramethylpiperidine
CID 70542587
bis(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl) 2,2-diethylpropanedioate
CID 20512159
1-butyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 19905643
10-oxo-10-(2,2,6,6-tetramethyl-1-octylpiperidin-4-yl)oxydecanoic acid
CID 150087158
4-cyclopropyloxy-1,2,2,6,6-pentamethylpiperidine
CID 163909888
1,2,2,6,6-pentamethyl-4-octoxypiperidine
CID 155074808
cyclohex-4-ene-1,2-dicarboxylic acid;1-dodecyl-2,2,6,6-tetramethylpiperidin-4-ol
CID 70599265
2,2,4,6,6-pentamethyl-1-propylpiperidine
CID 23377309
10-O-(1-hexyl-2,2,5,5-tetramethylpyrrolidin-3-yl) 1-O-(2,2,7,7-tetramethyl-1-octoxyazepan-4-yl) decanedioate
CID 122414841
2-(4-ethoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethanol
CID 174827050
6-[amino-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]-6-oxohexanamide
CID 67848255

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-[4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-(2,2,6,6-tetramethyl-1-pentylpiperidin-4-yl)oxycyclohexyl]oxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-butyl-4-[4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-(2,2,6,6-tetramethyl-1-pentylpiperidin-4-yl)oxycyclohexyl]oxy-2,2,6,6-tetramethylpiperidine (CID 139317451) is 1-butyl-4-[4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-(2,2,6,6-tetramethyl-1-pentylpiperidin-4-yl)oxycyclohexyl]oxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-butyl-4-[4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-(2,2,6,6-tetramethyl-1-pentylpiperidin-4-yl)oxycyclohexyl]oxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-butyl-4-[4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-(2,2,6,6-tetramethyl-1-pentylpiperidin-4-yl)oxycyclohexyl]oxy-2,2,6,6-tetramethylpiperidine is CCCCCN1C(C)(C)CC(OC2CC(OC3CC(C)(C)N(CCCC)C(C)(C)C3)CCC2OC2CC(C)(C)N(CCCC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 1-butyl-4-[4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-(2,2,6,6-tetramethyl-1-pentylpiperidin-4-yl)oxycyclohexyl]oxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is YCYKNTSUBZSZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H89N3O3/c1-16-19-22-27-49-45(12,13)33-38(34-46(49,14)15)52-40-28-35(50-36-29-41(4,5)47(25-20-17-2)42(6,7)30-36)23-24-39(40)51-37-31-43(8,9)48(26-21-18-3)44(10,11)32-37/h35-40H,16-34H2,1-15H3.
What are the key properties of 1-butyl-4-[4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-(2,2,6,6-tetramethyl-1-pentylpiperidin-4-yl)oxycyclohexyl]oxy-2,2,6,6-tetramethylpiperidine?
1-butyl-4-[4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-(2,2,6,6-tetramethyl-1-pentylpiperidin-4-yl)oxycyclohexyl]oxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 732.24 g/mol, XLogP of 11.18, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-[4-(1-butyl-2,2,6,6-tetramethylpiperidin-4-yl)oxy-2-(2,2,6,6-tetramethyl-1-pentylpiperidin-4-yl)oxycyclohexyl]oxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 139317451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).