4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid

C14H21N3O2 — CID 175516280

IUPAC4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid
SMILESCc1cc(N)ccc1N1CC(C)N(C(=O)O)C(C)C1
InChIInChI=1S/C14H21N3O2/c1-9-6-12(15)4-5-13(9)16-7-10(2)17(14(18)19)11(3)8-16/h4-6,10-11H,7-8,15H2,1-3H3,(H,18,19)
InChIKeyHQXIQDMUTHQOGX-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.15
Rot. Bonds1

About 4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid

4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid (PubChem CID 175516280) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid
PubChem CID175516280
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid
SMILESCc1cc(N)ccc1N1CC(C)N(C(=O)O)C(C)C1
InChIInChI=1S/C14H21N3O2/c1-9-6-12(15)4-5-13(9)16-7-10(2)17(14(18)19)11(3)8-16/h4-6,10-11H,7-8,15H2,1-3H3,(H,18,19)
InChIKeyHQXIQDMUTHQOGX-UHFFFAOYSA-N
XLogP2.15
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-amino-2-methylphenyl)piperidine-4-carboxylic acid
CID 69043416
3-methyl-4-(3,4,5-trimethylpiperazin-1-yl)benzoic acid
CID 114537327
3-methyl-4-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline
CID 170327194
tert-butyl N-[1-(4-amino-2-methylphenyl)piperidin-4-yl]carbamate
CID 142621531
4-[4-amino-2-(2-hydroxypropan-2-yl)phenyl]-2-methylpiperazine-1-carboxylic acid
CID 154467335
4-methyl-3-(3-methylazetidin-1-yl)aniline
CID 79689322
1-[4-(4-amino-2-methylphenyl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 82533841
[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol
CID 81205635
3-methyl-4-morpholin-4-ylaniline
CID 10607787
ethane;3-methyl-4-(4-methylpiperazin-1-yl)aniline
CID 170593153
4-(4-cyclopropylpiperazin-1-yl)-3-methylaniline
CID 61440602
[4-(4-amino-2-methylphenyl)-5-methylmorpholin-2-yl]methanol
CID 81206220

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid?
The IUPAC name of 4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid (CID 175516280) is 4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid is Cc1cc(N)ccc1N1CC(C)N(C(=O)O)C(C)C1.
What is the InChIKey of 4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid?
The InChIKey is HQXIQDMUTHQOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9-6-12(15)4-5-13(9)16-7-10(2)17(14(18)19)11(3)8-16/h4-6,10-11H,7-8,15H2,1-3H3,(H,18,19).
What are the key properties of 4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid?
4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-methylphenyl)-2,6-dimethylpiperazine-1-carboxylic acid is sourced from PubChem (CID 175516280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).