4-octadecoxypiperidine

C23H47NO — CID 19819864

IUPAC4-octadecoxypiperidine
SMILESCCCCCCCCCCCCCCCCCCOC1CCNCC1
InChIInChI=1S/C23H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-23-18-20-24-21-19-23/h23-24H,2-22H2,1H3
InChIKeyYJFGUQAAVHXANJ-UHFFFAOYSA-N
MW353.64 g/mol
LogP7.02
Rot. Bonds18

About 4-octadecoxypiperidine

4-octadecoxypiperidine (PubChem CID 19819864) has the molecular formula C23H47NO and a molecular weight of 353.64 g/mol. Its IUPAC name is 4-octadecoxypiperidine.

Molecular Properties

Compound Name4-octadecoxypiperidine
PubChem CID19819864
Molecular FormulaC23H47NO
Molecular Weight353.64 g/mol
Exact Mass353.37
IUPAC Name4-octadecoxypiperidine
SMILESCCCCCCCCCCCCCCCCCCOC1CCNCC1
InChIInChI=1S/C23H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-23-18-20-24-21-19-23/h23-24H,2-22H2,1H3
InChIKeyYJFGUQAAVHXANJ-UHFFFAOYSA-N
XLogP7.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.64
LogP ≤ 57.02
H-Bond Donors ≤ 51
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 4-octadecoxypiperidine?
The IUPAC name of 4-octadecoxypiperidine (CID 19819864) is 4-octadecoxypiperidine.
What is the SMILES notation for 4-octadecoxypiperidine?
The canonical SMILES for 4-octadecoxypiperidine is CCCCCCCCCCCCCCCCCCOC1CCNCC1.
What is the InChIKey of 4-octadecoxypiperidine?
The InChIKey is YJFGUQAAVHXANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-23-18-20-24-21-19-23/h23-24H,2-22H2,1H3.
What are the key properties of 4-octadecoxypiperidine?
4-octadecoxypiperidine has a molecular weight of 353.64 g/mol, XLogP of 7.02, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octadecoxypiperidine is sourced from PubChem (CID 19819864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).