4-ethenyl-1-phosphanylpiperidine-4-carboxylic acid

C8H14NO2P — CID 58683611

IUPAC4-ethenyl-1-phosphanylpiperidine-4-carboxylic acid
SMILESC=CC1(C(=O)O)CCN(P)CC1
InChIInChI=1S/C8H14NO2P/c1-2-8(7(10)11)3-5-9(12)6-4-8/h2H,1,3-6,12H2,(H,10,11)
InChIKeyIIGIVBSYCJUJJA-UHFFFAOYSA-N
MW187.18 g/mol
LogP1.13
Rot. Bonds2

About 4-ethenyl-1-phosphanylpiperidine-4-carboxylic acid

4-ethenyl-1-phosphanylpiperidine-4-carboxylic acid (PubChem CID 58683611) has the molecular formula C8H14NO2P and a molecular weight of 187.18 g/mol. Its IUPAC name is 4-ethenyl-1-phosphanylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethenyl-1-phosphanylpiperidine-4-carboxylic acid
PubChem CID58683611
Molecular FormulaC8H14NO2P
Molecular Weight187.18 g/mol
Exact Mass187.08
IUPAC Name4-ethenyl-1-phosphanylpiperidine-4-carboxylic acid
SMILESC=CC1(C(=O)O)CCN(P)CC1
InChIInChI=1S/C8H14NO2P/c1-2-8(7(10)11)3-5-9(12)6-4-8/h2H,1,3-6,12H2,(H,10,11)
InChIKeyIIGIVBSYCJUJJA-UHFFFAOYSA-N
XLogP1.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-phosphanylpiperidine-4-carboxylic acid?
The IUPAC name of 4-ethenyl-1-phosphanylpiperidine-4-carboxylic acid (CID 58683611) is 4-ethenyl-1-phosphanylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethenyl-1-phosphanylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-ethenyl-1-phosphanylpiperidine-4-carboxylic acid is C=CC1(C(=O)O)CCN(P)CC1.
What is the InChIKey of 4-ethenyl-1-phosphanylpiperidine-4-carboxylic acid?
The InChIKey is IIGIVBSYCJUJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO2P/c1-2-8(7(10)11)3-5-9(12)6-4-8/h2H,1,3-6,12H2,(H,10,11).
What are the key properties of 4-ethenyl-1-phosphanylpiperidine-4-carboxylic acid?
4-ethenyl-1-phosphanylpiperidine-4-carboxylic acid has a molecular weight of 187.18 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-phosphanylpiperidine-4-carboxylic acid is sourced from PubChem (CID 58683611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).