1-icosa-2,4,15-trienylpiperidine

C25H45N — CID 123282793

IUPAC1-icosa-2,4,15-trienylpiperidine
SMILESCCCCC=CCCCCCCCCCC=CC=CCN1CCCCC1
InChIInChI=1S/C25H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-24-21-19-22-25-26/h5-6,16-18,20H,2-4,7-15,19,21-25H2,1H3
InChIKeyANWBCUDGEQHAAC-UHFFFAOYSA-N
MW359.64 g/mol
LogP7.84
Rot. Bonds16

About 1-icosa-2,4,15-trienylpiperidine

1-icosa-2,4,15-trienylpiperidine (PubChem CID 123282793) has the molecular formula C25H45N and a molecular weight of 359.64 g/mol. Its IUPAC name is 1-icosa-2,4,15-trienylpiperidine.

Molecular Properties

Compound Name1-icosa-2,4,15-trienylpiperidine
PubChem CID123282793
Molecular FormulaC25H45N
Molecular Weight359.64 g/mol
Exact Mass359.36
IUPAC Name1-icosa-2,4,15-trienylpiperidine
SMILESCCCCC=CCCCCCCCCCC=CC=CCN1CCCCC1
InChIInChI=1S/C25H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-24-21-19-22-25-26/h5-6,16-18,20H,2-4,7-15,19,21-25H2,1H3
InChIKeyANWBCUDGEQHAAC-UHFFFAOYSA-N
XLogP7.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.64
LogP ≤ 57.84
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-icosa-2,4,15-trienylpiperidine?
The IUPAC name of 1-icosa-2,4,15-trienylpiperidine (CID 123282793) is 1-icosa-2,4,15-trienylpiperidine.
What is the SMILES notation for 1-icosa-2,4,15-trienylpiperidine?
The canonical SMILES for 1-icosa-2,4,15-trienylpiperidine is CCCCC=CCCCCCCCCCC=CC=CCN1CCCCC1.
What is the InChIKey of 1-icosa-2,4,15-trienylpiperidine?
The InChIKey is ANWBCUDGEQHAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-24-21-19-22-25-26/h5-6,16-18,20H,2-4,7-15,19,21-25H2,1H3.
What are the key properties of 1-icosa-2,4,15-trienylpiperidine?
1-icosa-2,4,15-trienylpiperidine has a molecular weight of 359.64 g/mol, XLogP of 7.84, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-icosa-2,4,15-trienylpiperidine is sourced from PubChem (CID 123282793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).