1-(2-hexadecoxyethyl)-2,2,4,6,6-pentamethylpiperidine

C28H57NO — CID 21292204

IUPAC1-(2-hexadecoxyethyl)-2,2,4,6,6-pentamethylpiperidine
SMILESCCCCCCCCCCCCCCCCOCCN1C(C)(C)CC(C)CC1(C)C
InChIInChI=1S/C28H57NO/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30-23-21-29-27(3,4)24-26(2)25-28(29,5)6/h26H,7-25H2,1-6H3
InChIKeyLMFMSTGGDQHZCE-UHFFFAOYSA-N
MW423.77 g/mol
LogP8.77
Rot. Bonds18

About 1-(2-hexadecoxyethyl)-2,2,4,6,6-pentamethylpiperidine

1-(2-hexadecoxyethyl)-2,2,4,6,6-pentamethylpiperidine (PubChem CID 21292204) has the molecular formula C28H57NO and a molecular weight of 423.77 g/mol. Its IUPAC name is 1-(2-hexadecoxyethyl)-2,2,4,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name1-(2-hexadecoxyethyl)-2,2,4,6,6-pentamethylpiperidine
PubChem CID21292204
Molecular FormulaC28H57NO
Molecular Weight423.77 g/mol
Exact Mass423.44
IUPAC Name1-(2-hexadecoxyethyl)-2,2,4,6,6-pentamethylpiperidine
SMILESCCCCCCCCCCCCCCCCOCCN1C(C)(C)CC(C)CC1(C)C
InChIInChI=1S/C28H57NO/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30-23-21-29-27(3,4)24-26(2)25-28(29,5)6/h26H,7-25H2,1-6H3
InChIKeyLMFMSTGGDQHZCE-UHFFFAOYSA-N
XLogP8.77
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 ≤ 58.77
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-hexadecoxyethyl)-2,2,4,6,6-pentamethylpiperidine?
The IUPAC name of 1-(2-hexadecoxyethyl)-2,2,4,6,6-pentamethylpiperidine (CID 21292204) is 1-(2-hexadecoxyethyl)-2,2,4,6,6-pentamethylpiperidine.
What is the SMILES notation for 1-(2-hexadecoxyethyl)-2,2,4,6,6-pentamethylpiperidine?
The canonical SMILES for 1-(2-hexadecoxyethyl)-2,2,4,6,6-pentamethylpiperidine is CCCCCCCCCCCCCCCCOCCN1C(C)(C)CC(C)CC1(C)C.
What is the InChIKey of 1-(2-hexadecoxyethyl)-2,2,4,6,6-pentamethylpiperidine?
The InChIKey is LMFMSTGGDQHZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57NO/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-30-23-21-29-27(3,4)24-26(2)25-28(29,5)6/h26H,7-25H2,1-6H3.
What are the key properties of 1-(2-hexadecoxyethyl)-2,2,4,6,6-pentamethylpiperidine?
1-(2-hexadecoxyethyl)-2,2,4,6,6-pentamethylpiperidine has a molecular weight of 423.77 g/mol, XLogP of 8.77, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hexadecoxyethyl)-2,2,4,6,6-pentamethylpiperidine is sourced from PubChem (CID 21292204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).