1-oct-2-enylpiperidine

C13H25N — CID 68590649

IUPAC1-oct-2-enylpiperidine
SMILESCCCCCC=CCN1CCCCC1
InChIInChI=1S/C13H25N/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h6,8H,2-5,7,9-13H2,1H3
InChIKeyFAUOVBHQUDYNNB-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.61
Rot. Bonds6

About 1-oct-2-enylpiperidine

1-oct-2-enylpiperidine (PubChem CID 68590649) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-oct-2-enylpiperidine.

Molecular Properties

Compound Name1-oct-2-enylpiperidine
PubChem CID68590649
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-oct-2-enylpiperidine
SMILESCCCCCC=CCN1CCCCC1
InChIInChI=1S/C13H25N/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h6,8H,2-5,7,9-13H2,1H3
InChIKeyFAUOVBHQUDYNNB-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.61
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-oct-2-enylpiperidine?
The IUPAC name of 1-oct-2-enylpiperidine (CID 68590649) is 1-oct-2-enylpiperidine.
What is the SMILES notation for 1-oct-2-enylpiperidine?
The canonical SMILES for 1-oct-2-enylpiperidine is CCCCCC=CCN1CCCCC1.
What is the InChIKey of 1-oct-2-enylpiperidine?
The InChIKey is FAUOVBHQUDYNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h6,8H,2-5,7,9-13H2,1H3.
What are the key properties of 1-oct-2-enylpiperidine?
1-oct-2-enylpiperidine has a molecular weight of 195.35 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oct-2-enylpiperidine is sourced from PubChem (CID 68590649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).