4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid

C15H22N2O2 — CID 117011778

IUPAC4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid
SMILESCCc1cccc(C)c1N1CCC(N)(C(=O)O)CC1
InChIInChI=1S/C15H22N2O2/c1-3-12-6-4-5-11(2)13(12)17-9-7-15(16,8-10-17)14(18)19/h4-6H,3,7-10,16H2,1-2H3,(H,18,19)
InChIKeyXPEQABPJKOPPNE-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.94
Rot. Bonds3

About 4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid

4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid (PubChem CID 117011778) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid
PubChem CID117011778
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid
SMILESCCc1cccc(C)c1N1CCC(N)(C(=O)O)CC1
InChIInChI=1S/C15H22N2O2/c1-3-12-6-4-5-11(2)13(12)17-9-7-15(16,8-10-17)14(18)19/h4-6H,3,7-10,16H2,1-2H3,(H,18,19)
InChIKeyXPEQABPJKOPPNE-UHFFFAOYSA-N
XLogP1.94
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethyl-6-methylphenyl)pyrrolidine
CID 168515642
3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid
CID 117011842
1-(2-ethyl-6-methylphenyl)piperidin-4-one
CID 117028332
3-[1-(2-ethyl-6-methylphenyl)pyrrolidin-3-yl]propanoic acid
CID 117002596
1-(2-ethyl-6-methylphenyl)azetidin-3-amine
CID 117002804
N-(3-acetamidophenyl)-4-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113112200
[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 113076018
1-(2-ethyl-6-methylphenyl)-4-(1-methylpiperidin-4-yl)piperidine
CID 59110945
4-amino-1-(2,5-dimethylphenyl)piperidine-4-carboxylic acid
CID 117011771
methyl 1-(2-ethyl-6-methylphenyl)pyrrolidine-3-carboxylate
CID 117028348
cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone
CID 113075979
1-[4-(2,6-diethylphenyl)piperazin-1-yl]ethanone
CID 113076338

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid (CID 117011778) is 4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid is CCc1cccc(C)c1N1CCC(N)(C(=O)O)CC1.
What is the InChIKey of 4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid?
The InChIKey is XPEQABPJKOPPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-12-6-4-5-11(2)13(12)17-9-7-15(16,8-10-17)14(18)19/h4-6H,3,7-10,16H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid?
4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-ethyl-6-methylphenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 117011778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).