5-methyl-6-(3-prop-2-enylphenyl)piperidine-2-carboxylic acid

C16H21NO2 — CID 16758882

IUPAC5-methyl-6-(3-prop-2-enylphenyl)piperidine-2-carboxylic acid
SMILESC=CCc1cccc(C2NC(C(=O)O)CCC2C)c1
InChIInChI=1S/C16H21NO2/c1-3-5-12-6-4-7-13(10-12)15-11(2)8-9-14(17-15)16(18)19/h3-4,6-7,10-11,14-15,17H,1,5,8-9H2,2H3,(H,18,19)
InChIKeyMPQXXEWWAYKKFX-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.93
Rot. Bonds4

About 5-methyl-6-(3-prop-2-enylphenyl)piperidine-2-carboxylic acid

5-methyl-6-(3-prop-2-enylphenyl)piperidine-2-carboxylic acid (PubChem CID 16758882) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-methyl-6-(3-prop-2-enylphenyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-(3-prop-2-enylphenyl)piperidine-2-carboxylic acid
PubChem CID16758882
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name5-methyl-6-(3-prop-2-enylphenyl)piperidine-2-carboxylic acid
SMILESC=CCc1cccc(C2NC(C(=O)O)CCC2C)c1
InChIInChI=1S/C16H21NO2/c1-3-5-12-6-4-7-13(10-12)15-11(2)8-9-14(17-15)16(18)19/h3-4,6-7,10-11,14-15,17H,1,5,8-9H2,2H3,(H,18,19)
InChIKeyMPQXXEWWAYKKFX-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.93
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 5-methyl-6-(3-prop-2-enylphenyl)piperidine-2-carboxylic acid?
The IUPAC name of 5-methyl-6-(3-prop-2-enylphenyl)piperidine-2-carboxylic acid (CID 16758882) is 5-methyl-6-(3-prop-2-enylphenyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 5-methyl-6-(3-prop-2-enylphenyl)piperidine-2-carboxylic acid?
The canonical SMILES for 5-methyl-6-(3-prop-2-enylphenyl)piperidine-2-carboxylic acid is C=CCc1cccc(C2NC(C(=O)O)CCC2C)c1.
What is the InChIKey of 5-methyl-6-(3-prop-2-enylphenyl)piperidine-2-carboxylic acid?
The InChIKey is MPQXXEWWAYKKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-5-12-6-4-7-13(10-12)15-11(2)8-9-14(17-15)16(18)19/h3-4,6-7,10-11,14-15,17H,1,5,8-9H2,2H3,(H,18,19).
What are the key properties of 5-methyl-6-(3-prop-2-enylphenyl)piperidine-2-carboxylic acid?
5-methyl-6-(3-prop-2-enylphenyl)piperidine-2-carboxylic acid has a molecular weight of 259.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(3-prop-2-enylphenyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 16758882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).