3-ethenyl-1-methylpiperidine-4-carboxylic acid

C9H15NO2 — CID 135130716

IUPAC3-ethenyl-1-methylpiperidine-4-carboxylic acid
SMILESC=CC1CN(C)CCC1C(=O)O
InChIInChI=1S/C9H15NO2/c1-3-7-6-10(2)5-4-8(7)9(11)12/h3,7-8H,1,4-6H2,2H3,(H,11,12)
InChIKeyUKVIEYOZRQXPDG-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.82
Rot. Bonds2

About 3-ethenyl-1-methylpiperidine-4-carboxylic acid

3-ethenyl-1-methylpiperidine-4-carboxylic acid (PubChem CID 135130716) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-ethenyl-1-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-ethenyl-1-methylpiperidine-4-carboxylic acid
PubChem CID135130716
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-ethenyl-1-methylpiperidine-4-carboxylic acid
SMILESC=CC1CN(C)CCC1C(=O)O
InChIInChI=1S/C9H15NO2/c1-3-7-6-10(2)5-4-8(7)9(11)12/h3,7-8H,1,4-6H2,2H3,(H,11,12)
InChIKeyUKVIEYOZRQXPDG-UHFFFAOYSA-N
XLogP0.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Allylpiperidine-4-carboxylic acid
CID 16244014
3-Fluoro-1-methyl-5-methylidenepiperidine-4-carboxylic acid
CID 163534314
1-Methyl-4-(prop-2-en-1-yl)piperidine-4-carboxylic acid
CID 20798297
1-But-3-enoylpiperidine-4-carboxylic acid
CID 21892269
1-Methyl-4-(2-methylbut-3-en-2-yl)piperidine-4-carboxylic acid
CID 23388584
1-Pent-4-en-2-ylpiperidine-4-carboxylic acid
CID 54516588
1-Pent-4-enoylpiperidine-4-carboxylic acid
CID 58070908
1-Prop-1-enylpiperidine-4-carboxylic acid
CID 59113362
1-(2-Methylidenebutyl)piperidine-4-carboxylic acid
CID 66044064
2-(3-Ethenyl-1-pentylpiperidin-4-yl)acetic acid
CID 68146762
3-(3-Ethenyl-1-pentylpiperidin-4-yl)propanoic acid
CID 68148628
4-[4-(2,5-Dimethylidenehept-3-enyl)piperidin-1-yl]butanoic acid
CID 123806667

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-methylpiperidine-4-carboxylic acid?
The IUPAC name of 3-ethenyl-1-methylpiperidine-4-carboxylic acid (CID 135130716) is 3-ethenyl-1-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 3-ethenyl-1-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 3-ethenyl-1-methylpiperidine-4-carboxylic acid is C=CC1CN(C)CCC1C(=O)O.
What is the InChIKey of 3-ethenyl-1-methylpiperidine-4-carboxylic acid?
The InChIKey is UKVIEYOZRQXPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-7-6-10(2)5-4-8(7)9(11)12/h3,7-8H,1,4-6H2,2H3,(H,11,12).
What are the key properties of 3-ethenyl-1-methylpiperidine-4-carboxylic acid?
3-ethenyl-1-methylpiperidine-4-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 135130716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).