4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid

C16H24N2O2 — CID 62710645

IUPAC4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid
SMILESCc1ccc(C(=O)O)c(NCC(C)N2CCCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-12-6-7-14(16(19)20)15(10-12)17-11-13(2)18-8-4-3-5-9-18/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3,(H,19,20)
InChIKeyQWUQWWXZMMFLGF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.98
Rot. Bonds5

About 4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid

4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid (PubChem CID 62710645) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid.

Molecular Properties

Compound Name4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid
PubChem CID62710645
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid
SMILESCc1ccc(C(=O)O)c(NCC(C)N2CCCCC2)c1
InChIInChI=1S/C16H24N2O2/c1-12-6-7-14(16(19)20)15(10-12)17-11-13(2)18-8-4-3-5-9-18/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3,(H,19,20)
InChIKeyQWUQWWXZMMFLGF-UHFFFAOYSA-N
XLogP2.98
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-(2-piperidin-1-ylpropylamino)benzoic acid
CID 81300803
2-bromo-3-fluoro-4-(2-pyrrolidin-1-ylpropylamino)benzoic acid
CID 107540424
4-methyl-2-(3-methylbutan-2-ylamino)benzoic acid
CID 62710762
4-methyl-2-[2-(1,3-thiazol-2-yl)propylamino]benzoic acid
CID 114127990
2-fluoro-6-(2-piperidin-1-ylpropylamino)benzoic acid
CID 79522274
2-(cyclooctylamino)-4-methylbenzoic acid
CID 63512183
4-methyl-2-(5-methylhexylamino)benzoic acid
CID 115325938
2-(4-hydroxypentylamino)-4-methylbenzoic acid
CID 106136495
3-(2-pyrrolidin-1-ylpropylamino)benzoic acid
CID 102823229
4-methyl-2-(7-methyloctylamino)benzoic acid
CID 107815537
N-[2-(azocan-1-yl)propyl]aniline
CID 62558695
2-(cyclopentylamino)-4-methylbenzoic acid
CID 62710261

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid?
The IUPAC name of 4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid (CID 62710645) is 4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid.
What is the SMILES notation for 4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid?
The canonical SMILES for 4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid is Cc1ccc(C(=O)O)c(NCC(C)N2CCCCC2)c1.
What is the InChIKey of 4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid?
The InChIKey is QWUQWWXZMMFLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-6-7-14(16(19)20)15(10-12)17-11-13(2)18-8-4-3-5-9-18/h6-7,10,13,17H,3-5,8-9,11H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid?
4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid has a molecular weight of 276.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-piperidin-1-ylpropylamino)benzoic acid is sourced from PubChem (CID 62710645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).