4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid

C14H20N2O2 — CID 62709432

IUPAC4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid
SMILESCc1ccc(C(=O)O)c(NC2CCN(C)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-10-3-4-12(14(17)18)13(9-10)15-11-5-7-16(2)8-6-11/h3-4,9,11,15H,5-8H2,1-2H3,(H,17,18)
InChIKeyNGTNZWIQUJYABV-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.20
Rot. Bonds3

About 4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid

4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid (PubChem CID 62709432) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid
PubChem CID62709432
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid
SMILESCc1ccc(C(=O)O)c(NC2CCN(C)CC2)c1
InChIInChI=1S/C14H20N2O2/c1-10-3-4-12(14(17)18)13(9-10)15-11-5-7-16(2)8-6-11/h3-4,9,11,15H,5-8H2,1-2H3,(H,17,18)
InChIKeyNGTNZWIQUJYABV-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-4-methylbenzoic acid
CID 62710261
2-(cyclooctylamino)-4-methylbenzoic acid
CID 63512183
4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzoic acid
CID 68738456
4-methyl-2-[(1-methylpyrrolidin-3-yl)methylamino]benzoic acid
CID 62710632
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylbenzoic acid
CID 62711181
3-amino-4-[(1-methylpiperidin-4-yl)amino]benzoic acid
CID 54887632
5-methyl-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]benzoic acid
CID 61465498
N-(2-chloro-4-methylphenyl)-1-methylazepan-4-amine
CID 65071149
4-methyl-2-(piperidin-4-ylamino)benzamide
CID 62308857
2-[[2-(hydroxymethyl)cyclopentyl]amino]-4-methylbenzoic acid
CID 106361825
2-(1-cyclopropylethylamino)-4-methylbenzoic acid
CID 62711831
N,2-dimethyl-3-[(1-methylpiperidin-4-yl)amino]benzamide
CID 43734523

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid?
The IUPAC name of 4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid (CID 62709432) is 4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid.
What is the SMILES notation for 4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid?
The canonical SMILES for 4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid is Cc1ccc(C(=O)O)c(NC2CCN(C)CC2)c1.
What is the InChIKey of 4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid?
The InChIKey is NGTNZWIQUJYABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-3-4-12(14(17)18)13(9-10)15-11-5-7-16(2)8-6-11/h3-4,9,11,15H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid?
4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid has a molecular weight of 248.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methylpiperidin-4-yl)amino]benzoic acid is sourced from PubChem (CID 62709432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).