1-hept-1-en-3-ylpiperidine

C12H23N — CID 68589534

IUPAC1-hept-1-en-3-ylpiperidine
SMILESC=CC(CCCC)N1CCCCC1
InChIInChI=1S/C12H23N/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h4,12H,2-3,5-11H2,1H3
InChIKeyQGFHZBQHINPPDE-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.22
Rot. Bonds5

About 1-hept-1-en-3-ylpiperidine

1-hept-1-en-3-ylpiperidine (PubChem CID 68589534) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-hept-1-en-3-ylpiperidine.

Molecular Properties

Compound Name1-hept-1-en-3-ylpiperidine
PubChem CID68589534
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-hept-1-en-3-ylpiperidine
SMILESC=CC(CCCC)N1CCCCC1
InChIInChI=1S/C12H23N/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h4,12H,2-3,5-11H2,1H3
InChIKeyQGFHZBQHINPPDE-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hept-1-en-3-ylpiperidine?
The IUPAC name of 1-hept-1-en-3-ylpiperidine (CID 68589534) is 1-hept-1-en-3-ylpiperidine.
What is the SMILES notation for 1-hept-1-en-3-ylpiperidine?
The canonical SMILES for 1-hept-1-en-3-ylpiperidine is C=CC(CCCC)N1CCCCC1.
What is the InChIKey of 1-hept-1-en-3-ylpiperidine?
The InChIKey is QGFHZBQHINPPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-5-9-12(4-2)13-10-7-6-8-11-13/h4,12H,2-3,5-11H2,1H3.
What are the key properties of 1-hept-1-en-3-ylpiperidine?
1-hept-1-en-3-ylpiperidine has a molecular weight of 181.32 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-1-en-3-ylpiperidine is sourced from PubChem (CID 68589534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).