6-hept-6-enylpiperidine-2-carboxylic acid

C13H23NO2 — CID 107010179

IUPAC6-hept-6-enylpiperidine-2-carboxylic acid
SMILESC=CCCCCCC1CCCC(C(=O)O)N1
InChIInChI=1S/C13H23NO2/c1-2-3-4-5-6-8-11-9-7-10-12(14-11)13(15)16/h2,11-12,14H,1,3-10H2,(H,15,16)
InChIKeyWUOYMYCKARGEBS-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.72
Rot. Bonds7

About 6-hept-6-enylpiperidine-2-carboxylic acid

6-hept-6-enylpiperidine-2-carboxylic acid (PubChem CID 107010179) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 6-hept-6-enylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name6-hept-6-enylpiperidine-2-carboxylic acid
PubChem CID107010179
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name6-hept-6-enylpiperidine-2-carboxylic acid
SMILESC=CCCCCCC1CCCC(C(=O)O)N1
InChIInChI=1S/C13H23NO2/c1-2-3-4-5-6-8-11-9-7-10-12(14-11)13(15)16/h2,11-12,14H,1,3-10H2,(H,15,16)
InChIKeyWUOYMYCKARGEBS-UHFFFAOYSA-N
XLogP2.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 6-hept-6-enylpiperidine-2-carboxylic acid?
The IUPAC name of 6-hept-6-enylpiperidine-2-carboxylic acid (CID 107010179) is 6-hept-6-enylpiperidine-2-carboxylic acid.
What is the SMILES notation for 6-hept-6-enylpiperidine-2-carboxylic acid?
The canonical SMILES for 6-hept-6-enylpiperidine-2-carboxylic acid is C=CCCCCCC1CCCC(C(=O)O)N1.
What is the InChIKey of 6-hept-6-enylpiperidine-2-carboxylic acid?
The InChIKey is WUOYMYCKARGEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-3-4-5-6-8-11-9-7-10-12(14-11)13(15)16/h2,11-12,14H,1,3-10H2,(H,15,16).
What are the key properties of 6-hept-6-enylpiperidine-2-carboxylic acid?
6-hept-6-enylpiperidine-2-carboxylic acid has a molecular weight of 225.33 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hept-6-enylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107010179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).