2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid

C13H18N2O2 — CID 55082978

IUPAC2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid
SMILESCc1ccc(N2CCC(N)CC2)c(C(=O)O)c1
InChIInChI=1S/C13H18N2O2/c1-9-2-3-12(11(8-9)13(16)17)15-6-4-10(14)5-7-15/h2-3,8,10H,4-7,14H2,1H3,(H,16,17)
InChIKeyKAAAYHKRANIKPR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.62
Rot. Bonds2

About 2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid

2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid (PubChem CID 55082978) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid
PubChem CID55082978
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid
SMILESCc1ccc(N2CCC(N)CC2)c(C(=O)O)c1
InChIInChI=1S/C13H18N2O2/c1-9-2-3-12(11(8-9)13(16)17)15-6-4-10(14)5-7-15/h2-3,8,10H,4-7,14H2,1H3,(H,16,17)
InChIKeyKAAAYHKRANIKPR-UHFFFAOYSA-N
XLogP1.62
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)-5-chlorobenzoic acid
CID 55009771
5-methyl-2-morpholin-4-ylbenzoic acid
CID 62516703
5-methyl-2-(3-methylazetidin-1-yl)benzoic acid
CID 79687790
2-(3-methoxy-4-methylpiperidin-1-yl)-5-methylbenzoic acid
CID 102958674
5-methyl-2-(2-methylazetidin-1-yl)benzoic acid
CID 79686311
4-(4-aminopiperidin-1-yl)-2,3-difluorobenzoic acid
CID 79841068
2-(4-acetyl-1,4-diazepan-1-yl)-5-methylbenzoic acid
CID 62515359
2-(2-azaspiro[3.3]heptan-2-yl)-5-methylbenzoic acid
CID 79687789
2-(4-aminopiperidin-1-yl)-5-fluorobenzamide
CID 55232289
2-(3,3-diethylazetidin-1-yl)-5-methylbenzoic acid
CID 79687578
cyclopropyl-[2-[4-(dimethylamino)piperidin-1-yl]-5-methylphenyl]methanone
CID 155205280
4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid
CID 62700990

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid (CID 55082978) is 2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid is Cc1ccc(N2CCC(N)CC2)c(C(=O)O)c1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid?
The InChIKey is KAAAYHKRANIKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-2-3-12(11(8-9)13(16)17)15-6-4-10(14)5-7-15/h2-3,8,10H,4-7,14H2,1H3,(H,16,17).
What are the key properties of 2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid?
2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid has a molecular weight of 234.30 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid is sourced from PubChem (CID 55082978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).