1-octa-2,7-dienylpiperidine

C13H23N — CID 4248884

IUPAC1-octa-2,7-dienylpiperidine
SMILESC=CCCCC=CCN1CCCCC1
InChIInChI=1S/C13H23N/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h2,6,8H,1,3-5,7,9-13H2
InChIKeyVPOOFXQWESQLHA-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.38
Rot. Bonds6

About 1-octa-2,7-dienylpiperidine

1-octa-2,7-dienylpiperidine (PubChem CID 4248884) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-octa-2,7-dienylpiperidine.

Molecular Properties

Compound Name1-octa-2,7-dienylpiperidine
PubChem CID4248884
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-octa-2,7-dienylpiperidine
SMILESC=CCCCC=CCN1CCCCC1
InChIInChI=1S/C13H23N/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h2,6,8H,1,3-5,7,9-13H2
InChIKeyVPOOFXQWESQLHA-UHFFFAOYSA-N
XLogP3.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.38
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-octa-2,7-dienylpiperidine?
The IUPAC name of 1-octa-2,7-dienylpiperidine (CID 4248884) is 1-octa-2,7-dienylpiperidine.
What is the SMILES notation for 1-octa-2,7-dienylpiperidine?
The canonical SMILES for 1-octa-2,7-dienylpiperidine is C=CCCCC=CCN1CCCCC1.
What is the InChIKey of 1-octa-2,7-dienylpiperidine?
The InChIKey is VPOOFXQWESQLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h2,6,8H,1,3-5,7,9-13H2.
What are the key properties of 1-octa-2,7-dienylpiperidine?
1-octa-2,7-dienylpiperidine has a molecular weight of 193.33 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octa-2,7-dienylpiperidine is sourced from PubChem (CID 4248884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).