4-[(2,6-dimethylpiperidin-1-yl)amino]benzoic acid

C14H20N2O2 — CID 83016312

IUPAC4-[(2,6-dimethylpiperidin-1-yl)amino]benzoic acid
SMILESCC1CCCC(C)N1Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H20N2O2/c1-10-4-3-5-11(2)16(10)15-13-8-6-12(7-9-13)14(17)18/h6-11,15H,3-5H2,1-2H3,(H,17,18)
InChIKeyKWYQYIKGRWEBJD-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.97
Rot. Bonds3

About 4-[(2,6-dimethylpiperidin-1-yl)amino]benzoic acid

4-[(2,6-dimethylpiperidin-1-yl)amino]benzoic acid (PubChem CID 83016312) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(2,6-dimethylpiperidin-1-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(2,6-dimethylpiperidin-1-yl)amino]benzoic acid
PubChem CID83016312
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-[(2,6-dimethylpiperidin-1-yl)amino]benzoic acid
SMILESCC1CCCC(C)N1Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C14H20N2O2/c1-10-4-3-5-11(2)16(10)15-13-8-6-12(7-9-13)14(17)18/h6-11,15H,3-5H2,1-2H3,(H,17,18)
InChIKeyKWYQYIKGRWEBJD-UHFFFAOYSA-N
XLogP2.97
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,6-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 61191051
6-[(2,6-dimethylpiperidin-1-yl)amino]pyridine-3-carboxylic acid
CID 83015239
2-amino-5-[(2,6-dimethylpiperidin-1-yl)amino]benzamide
CID 83023670
N-[4-(difluoromethylsulfonyl)phenyl]-2,6-dimethylpiperidin-1-amine
CID 83018216
1,4-dimethylcyclohexane;terephthalic acid
CID 66647934
1-(4-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea
CID 4178428
4-[(2,6-dimethylpiperidin-1-yl)amino]pyridine-2-carboxamide
CID 83026708
4-[(Z)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]benzoic acid
CID 7714998
N-(2,6-dimethylpiperidin-1-yl)-4-hydroxybenzamide
CID 78909911
4-bromo-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]benzamide
CID 40642612
4-[[4-(2-methylpiperidine-1-carbonyl)anilino]methyl]benzoic acid
CID 122033520
4-[[4-[(2-methylpiperidin-1-yl)methyl]anilino]methyl]benzoic acid
CID 122029492

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dimethylpiperidin-1-yl)amino]benzoic acid?
The IUPAC name of 4-[(2,6-dimethylpiperidin-1-yl)amino]benzoic acid (CID 83016312) is 4-[(2,6-dimethylpiperidin-1-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(2,6-dimethylpiperidin-1-yl)amino]benzoic acid?
The canonical SMILES for 4-[(2,6-dimethylpiperidin-1-yl)amino]benzoic acid is CC1CCCC(C)N1Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2,6-dimethylpiperidin-1-yl)amino]benzoic acid?
The InChIKey is KWYQYIKGRWEBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-4-3-5-11(2)16(10)15-13-8-6-12(7-9-13)14(17)18/h6-11,15H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 4-[(2,6-dimethylpiperidin-1-yl)amino]benzoic acid?
4-[(2,6-dimethylpiperidin-1-yl)amino]benzoic acid has a molecular weight of 248.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dimethylpiperidin-1-yl)amino]benzoic acid is sourced from PubChem (CID 83016312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).