3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid

C14H20N2O2 — CID 117011842

IUPAC3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid
SMILESCc1cccc(C)c1N1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C14H20N2O2/c1-10-5-3-6-11(2)12(10)16-8-4-7-14(15,9-16)13(17)18/h3,5-6H,4,7-9,15H2,1-2H3,(H,17,18)
InChIKeyKCQKXMRNVJIPJD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.69
Rot. Bonds2

About 3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid

3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid (PubChem CID 117011842) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid
PubChem CID117011842
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid
SMILESCc1cccc(C)c1N1CCCC(N)(C(=O)O)C1
InChIInChI=1S/C14H20N2O2/c1-10-5-3-6-11(2)12(10)16-8-4-7-14(15,9-16)13(17)18/h3,5-6H,4,7-9,15H2,1-2H3,(H,17,18)
InChIKeyKCQKXMRNVJIPJD-UHFFFAOYSA-N
XLogP1.69
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid (CID 117011842) is 3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid is Cc1cccc(C)c1N1CCCC(N)(C(=O)O)C1.
What is the InChIKey of 3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid?
The InChIKey is KCQKXMRNVJIPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-5-3-6-11(2)12(10)16-8-4-7-14(15,9-16)13(17)18/h3,5-6H,4,7-9,15H2,1-2H3,(H,17,18).
What are the key properties of 3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid?
3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid has a molecular weight of 248.33 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 117011842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).