1-hept-6-enylpiperidine-2-carbaldehyde

C13H23NO — CID 107010171

IUPAC1-hept-6-enylpiperidine-2-carbaldehyde
SMILESC=CCCCCCN1CCCCC1C=O
InChIInChI=1S/C13H23NO/c1-2-3-4-5-7-10-14-11-8-6-9-13(14)12-15/h2,12-13H,1,3-11H2
InChIKeyAHYNLOPYUAMLFC-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.79
Rot. Bonds7

About 1-hept-6-enylpiperidine-2-carbaldehyde

1-hept-6-enylpiperidine-2-carbaldehyde (PubChem CID 107010171) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-hept-6-enylpiperidine-2-carbaldehyde.

Molecular Properties

Compound Name1-hept-6-enylpiperidine-2-carbaldehyde
PubChem CID107010171
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-hept-6-enylpiperidine-2-carbaldehyde
SMILESC=CCCCCCN1CCCCC1C=O
InChIInChI=1S/C13H23NO/c1-2-3-4-5-7-10-14-11-8-6-9-13(14)12-15/h2,12-13H,1,3-11H2
InChIKeyAHYNLOPYUAMLFC-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-hept-6-enylpiperidine-2-carbaldehyde?
The IUPAC name of 1-hept-6-enylpiperidine-2-carbaldehyde (CID 107010171) is 1-hept-6-enylpiperidine-2-carbaldehyde.
What is the SMILES notation for 1-hept-6-enylpiperidine-2-carbaldehyde?
The canonical SMILES for 1-hept-6-enylpiperidine-2-carbaldehyde is C=CCCCCCN1CCCCC1C=O.
What is the InChIKey of 1-hept-6-enylpiperidine-2-carbaldehyde?
The InChIKey is AHYNLOPYUAMLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-3-4-5-7-10-14-11-8-6-9-13(14)12-15/h2,12-13H,1,3-11H2.
What are the key properties of 1-hept-6-enylpiperidine-2-carbaldehyde?
1-hept-6-enylpiperidine-2-carbaldehyde has a molecular weight of 209.33 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hept-6-enylpiperidine-2-carbaldehyde is sourced from PubChem (CID 107010171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).