1,2,2,6,6-pentamethyl-3-octadecoxypiperidine

C28H57NO — CID 19013625

IUPAC1,2,2,6,6-pentamethyl-3-octadecoxypiperidine
SMILESCCCCCCCCCCCCCCCCCCOC1CCC(C)(C)N(C)C1(C)C
InChIInChI=1S/C28H57NO/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-30-26-23-24-27(2,3)29(6)28(26,4)5/h26H,7-25H2,1-6H3
InChIKeyMDGFJSIFAWZSJL-UHFFFAOYSA-N
MW423.77 g/mol
LogP8.92
Rot. Bonds18

About 1,2,2,6,6-pentamethyl-3-octadecoxypiperidine

1,2,2,6,6-pentamethyl-3-octadecoxypiperidine (PubChem CID 19013625) has the molecular formula C28H57NO and a molecular weight of 423.77 g/mol. Its IUPAC name is 1,2,2,6,6-pentamethyl-3-octadecoxypiperidine.

Molecular Properties

Compound Name1,2,2,6,6-pentamethyl-3-octadecoxypiperidine
PubChem CID19013625
Molecular FormulaC28H57NO
Molecular Weight423.77 g/mol
Exact Mass423.44
IUPAC Name1,2,2,6,6-pentamethyl-3-octadecoxypiperidine
SMILESCCCCCCCCCCCCCCCCCCOC1CCC(C)(C)N(C)C1(C)C
InChIInChI=1S/C28H57NO/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-30-26-23-24-27(2,3)29(6)28(26,4)5/h26H,7-25H2,1-6H3
InChIKeyMDGFJSIFAWZSJL-UHFFFAOYSA-N
XLogP8.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.77
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,6,6-pentamethyl-3-octadecoxypiperidine?
The IUPAC name of 1,2,2,6,6-pentamethyl-3-octadecoxypiperidine (CID 19013625) is 1,2,2,6,6-pentamethyl-3-octadecoxypiperidine.
What is the SMILES notation for 1,2,2,6,6-pentamethyl-3-octadecoxypiperidine?
The canonical SMILES for 1,2,2,6,6-pentamethyl-3-octadecoxypiperidine is CCCCCCCCCCCCCCCCCCOC1CCC(C)(C)N(C)C1(C)C.
What is the InChIKey of 1,2,2,6,6-pentamethyl-3-octadecoxypiperidine?
The InChIKey is MDGFJSIFAWZSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57NO/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-30-26-23-24-27(2,3)29(6)28(26,4)5/h26H,7-25H2,1-6H3.
What are the key properties of 1,2,2,6,6-pentamethyl-3-octadecoxypiperidine?
1,2,2,6,6-pentamethyl-3-octadecoxypiperidine has a molecular weight of 423.77 g/mol, XLogP of 8.92, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,6,6-pentamethyl-3-octadecoxypiperidine is sourced from PubChem (CID 19013625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).