4-amino-1-(2,5-dimethylphenyl)piperidine-4-carboxylic acid

C14H20N2O2 — CID 117011771

IUPAC4-amino-1-(2,5-dimethylphenyl)piperidine-4-carboxylic acid
SMILESCc1ccc(C)c(N2CCC(N)(C(=O)O)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-10-3-4-11(2)12(9-10)16-7-5-14(15,6-8-16)13(17)18/h3-4,9H,5-8,15H2,1-2H3,(H,17,18)
InChIKeyOGULSPHNBRXYSD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.69
Rot. Bonds2

About 4-amino-1-(2,5-dimethylphenyl)piperidine-4-carboxylic acid

4-amino-1-(2,5-dimethylphenyl)piperidine-4-carboxylic acid (PubChem CID 117011771) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-1-(2,5-dimethylphenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-(2,5-dimethylphenyl)piperidine-4-carboxylic acid
PubChem CID117011771
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-amino-1-(2,5-dimethylphenyl)piperidine-4-carboxylic acid
SMILESCc1ccc(C)c(N2CCC(N)(C(=O)O)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-10-3-4-11(2)12(9-10)16-7-5-14(15,6-8-16)13(17)18/h3-4,9H,5-8,15H2,1-2H3,(H,17,18)
InChIKeyOGULSPHNBRXYSD-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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Related Compounds

3-amino-1-(2,4-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117011884
4-amino-1-(4-bromo-2-methylphenyl)piperidine-4-carboxylic acid
CID 117011802
1-(2,5-dimethylphenyl)-4-(hydroxymethyl)piperidin-4-ol
CID 143566862
[1-(2,5-dimethylphenyl)-4-(methylamino)piperidin-4-yl]methanol
CID 117012043
3-amino-4-[4-(2,5-dimethylphenyl)piperazin-1-yl]benzoic acid
CID 53214082
2-[1-(2,5-dimethylphenyl)piperidin-4-ylidene]acetic acid
CID 82294751
3-amino-1-(2-bromo-4-methylphenyl)piperidine-3-carboxylic acid
CID 117011872
4-amino-1-(2-fluorophenyl)piperidine-4-carboxylic acid
CID 117011781
3-(2,5-dimethylphenyl)-3,9-diazaspiro[5.5]undecane
CID 117028752
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-phenylethanone
CID 113075441
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113075462
4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid
CID 117011778

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,5-dimethylphenyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-amino-1-(2,5-dimethylphenyl)piperidine-4-carboxylic acid (CID 117011771) is 4-amino-1-(2,5-dimethylphenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-(2,5-dimethylphenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-amino-1-(2,5-dimethylphenyl)piperidine-4-carboxylic acid is Cc1ccc(C)c(N2CCC(N)(C(=O)O)CC2)c1.
What is the InChIKey of 4-amino-1-(2,5-dimethylphenyl)piperidine-4-carboxylic acid?
The InChIKey is OGULSPHNBRXYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-3-4-11(2)12(9-10)16-7-5-14(15,6-8-16)13(17)18/h3-4,9H,5-8,15H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-1-(2,5-dimethylphenyl)piperidine-4-carboxylic acid?
4-amino-1-(2,5-dimethylphenyl)piperidine-4-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 4-amino-1-(2,5-dimethylphenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 117011771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).