4-prop-2-enylpiperidine-4-carboxylic acid

C9H15NO2 — CID 67120670

IUPAC4-prop-2-enylpiperidine-4-carboxylic acid
SMILESC=CCC1(C(=O)O)CCNCC1
InChIInChI=1S/C9H15NO2/c1-2-3-9(8(11)12)4-6-10-7-5-9/h2,10H,1,3-7H2,(H,11,12)
InChIKeyFMOHNFJKWOJTOF-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.02
Rot. Bonds3

About 4-prop-2-enylpiperidine-4-carboxylic acid

4-prop-2-enylpiperidine-4-carboxylic acid (PubChem CID 67120670) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-prop-2-enylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-prop-2-enylpiperidine-4-carboxylic acid
PubChem CID67120670
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-prop-2-enylpiperidine-4-carboxylic acid
SMILESC=CCC1(C(=O)O)CCNCC1
InChIInChI=1S/C9H15NO2/c1-2-3-9(8(11)12)4-6-10-7-5-9/h2,10H,1,3-7H2,(H,11,12)
InChIKeyFMOHNFJKWOJTOF-UHFFFAOYSA-N
XLogP1.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-prop-2-enylpiperidine-4-carboxylic acid?
The IUPAC name of 4-prop-2-enylpiperidine-4-carboxylic acid (CID 67120670) is 4-prop-2-enylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-prop-2-enylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-prop-2-enylpiperidine-4-carboxylic acid is C=CCC1(C(=O)O)CCNCC1.
What is the InChIKey of 4-prop-2-enylpiperidine-4-carboxylic acid?
The InChIKey is FMOHNFJKWOJTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-9(8(11)12)4-6-10-7-5-9/h2,10H,1,3-7H2,(H,11,12).
What are the key properties of 4-prop-2-enylpiperidine-4-carboxylic acid?
4-prop-2-enylpiperidine-4-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylpiperidine-4-carboxylic acid is sourced from PubChem (CID 67120670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).