1-hept-3-enylpiperidine

C12H23N — CID 71322096

IUPAC1-hept-3-enylpiperidine
SMILESCCCC=CCCN1CCCCC1
InChIInChI=1S/C12H23N/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h4-5H,2-3,6-12H2,1H3
InChIKeyIHRMLYBTXNHILE-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.22
Rot. Bonds5

About 1-hept-3-enylpiperidine

1-hept-3-enylpiperidine (PubChem CID 71322096) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-hept-3-enylpiperidine.

Molecular Properties

Compound Name1-hept-3-enylpiperidine
PubChem CID71322096
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-hept-3-enylpiperidine
SMILESCCCC=CCCN1CCCCC1
InChIInChI=1S/C12H23N/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h4-5H,2-3,6-12H2,1H3
InChIKeyIHRMLYBTXNHILE-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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Related Compounds

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1-pentylpiperidine;prop-1-ene
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Frequently Asked Questions

What is the IUPAC name of 1-hept-3-enylpiperidine?
The IUPAC name of 1-hept-3-enylpiperidine (CID 71322096) is 1-hept-3-enylpiperidine.
What is the SMILES notation for 1-hept-3-enylpiperidine?
The canonical SMILES for 1-hept-3-enylpiperidine is CCCC=CCCN1CCCCC1.
What is the InChIKey of 1-hept-3-enylpiperidine?
The InChIKey is IHRMLYBTXNHILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h4-5H,2-3,6-12H2,1H3.
What are the key properties of 1-hept-3-enylpiperidine?
1-hept-3-enylpiperidine 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-3-enylpiperidine is sourced from PubChem (CID 71322096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).