1-octadeca-2,4,13-trienylpiperidine

C23H41N — CID 123654235

IUPAC1-octadeca-2,4,13-trienylpiperidine
SMILESCCCCC=CCCCCCCCC=CC=CCN1CCCCC1
InChIInChI=1S/C23H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h5-6,14-16,18H,2-4,7-13,17,19-23H2,1H3
InChIKeyYRQWRYXSLVITSH-UHFFFAOYSA-N
MW331.59 g/mol
LogP7.06
Rot. Bonds14

About 1-octadeca-2,4,13-trienylpiperidine

1-octadeca-2,4,13-trienylpiperidine (PubChem CID 123654235) has the molecular formula C23H41N and a molecular weight of 331.59 g/mol. Its IUPAC name is 1-octadeca-2,4,13-trienylpiperidine.

Molecular Properties

Compound Name1-octadeca-2,4,13-trienylpiperidine
PubChem CID123654235
Molecular FormulaC23H41N
Molecular Weight331.59 g/mol
Exact Mass331.32
IUPAC Name1-octadeca-2,4,13-trienylpiperidine
SMILESCCCCC=CCCCCCCCC=CC=CCN1CCCCC1
InChIInChI=1S/C23H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h5-6,14-16,18H,2-4,7-13,17,19-23H2,1H3
InChIKeyYRQWRYXSLVITSH-UHFFFAOYSA-N
XLogP7.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.59
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-octadeca-2,4,13-trienylpiperidine?
The IUPAC name of 1-octadeca-2,4,13-trienylpiperidine (CID 123654235) is 1-octadeca-2,4,13-trienylpiperidine.
What is the SMILES notation for 1-octadeca-2,4,13-trienylpiperidine?
The canonical SMILES for 1-octadeca-2,4,13-trienylpiperidine is CCCCC=CCCCCCCCC=CC=CCN1CCCCC1.
What is the InChIKey of 1-octadeca-2,4,13-trienylpiperidine?
The InChIKey is YRQWRYXSLVITSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21-24-22-19-17-20-23-24/h5-6,14-16,18H,2-4,7-13,17,19-23H2,1H3.
What are the key properties of 1-octadeca-2,4,13-trienylpiperidine?
1-octadeca-2,4,13-trienylpiperidine has a molecular weight of 331.59 g/mol, XLogP of 7.06, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octadeca-2,4,13-trienylpiperidine is sourced from PubChem (CID 123654235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).