2,2,6,6-tetramethyl-4-octadecoxy-1-propylpiperidine

C30H61NO — CID 54196953

IUPAC2,2,6,6-tetramethyl-4-octadecoxy-1-propylpiperidine
SMILESCCCCCCCCCCCCCCCCCCOC1CC(C)(C)N(CCC)C(C)(C)C1
InChIInChI=1S/C30H61NO/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-32-28-26-29(3,4)31(24-8-2)30(5,6)27-28/h28H,7-27H2,1-6H3
InChIKeyPMMNSFGFQWJMKH-UHFFFAOYSA-N
MW451.82 g/mol
LogP9.70
Rot. Bonds20

About 2,2,6,6-tetramethyl-4-octadecoxy-1-propylpiperidine

2,2,6,6-tetramethyl-4-octadecoxy-1-propylpiperidine (PubChem CID 54196953) has the molecular formula C30H61NO and a molecular weight of 451.82 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-octadecoxy-1-propylpiperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-octadecoxy-1-propylpiperidine
PubChem CID54196953
Molecular FormulaC30H61NO
Molecular Weight451.82 g/mol
Exact Mass451.48
IUPAC Name2,2,6,6-tetramethyl-4-octadecoxy-1-propylpiperidine
SMILESCCCCCCCCCCCCCCCCCCOC1CC(C)(C)N(CCC)C(C)(C)C1
InChIInChI=1S/C30H61NO/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-32-28-26-29(3,4)31(24-8-2)30(5,6)27-28/h28H,7-27H2,1-6H3
InChIKeyPMMNSFGFQWJMKH-UHFFFAOYSA-N
XLogP9.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.82
LogP ≤ 59.70
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 2,2,6,6-tetramethyl-4-octadecoxy-1-propylpiperidine?
The IUPAC name of 2,2,6,6-tetramethyl-4-octadecoxy-1-propylpiperidine (CID 54196953) is 2,2,6,6-tetramethyl-4-octadecoxy-1-propylpiperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-octadecoxy-1-propylpiperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-octadecoxy-1-propylpiperidine is CCCCCCCCCCCCCCCCCCOC1CC(C)(C)N(CCC)C(C)(C)C1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-octadecoxy-1-propylpiperidine?
The InChIKey is PMMNSFGFQWJMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61NO/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-32-28-26-29(3,4)31(24-8-2)30(5,6)27-28/h28H,7-27H2,1-6H3.
What are the key properties of 2,2,6,6-tetramethyl-4-octadecoxy-1-propylpiperidine?
2,2,6,6-tetramethyl-4-octadecoxy-1-propylpiperidine has a molecular weight of 451.82 g/mol, XLogP of 9.70, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-octadecoxy-1-propylpiperidine is sourced from PubChem (CID 54196953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).