4-methyl-2-piperidin-1-ylbenzoic acid

C13H17NO2 — CID 62710167

IUPAC4-methyl-2-piperidin-1-ylbenzoic acid
SMILESCc1ccc(C(=O)O)c(N2CCCCC2)c1
InChIInChI=1S/C13H17NO2/c1-10-5-6-11(13(15)16)12(9-10)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyUNDBIYDNOBYSPI-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.68
Rot. Bonds2

About 4-methyl-2-piperidin-1-ylbenzoic acid

4-methyl-2-piperidin-1-ylbenzoic acid (PubChem CID 62710167) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-methyl-2-piperidin-1-ylbenzoic acid.

Molecular Properties

Compound Name4-methyl-2-piperidin-1-ylbenzoic acid
PubChem CID62710167
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-methyl-2-piperidin-1-ylbenzoic acid
SMILESCc1ccc(C(=O)O)c(N2CCCCC2)c1
InChIInChI=1S/C13H17NO2/c1-10-5-6-11(13(15)16)12(9-10)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)
InChIKeyUNDBIYDNOBYSPI-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 62968020
4-methyl-2-(4-methylazepan-1-yl)benzoic acid
CID 63627425
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-4-methylbenzoic acid
CID 107223336
4-methyl-2-(3-methylideneazetidin-1-yl)benzoic acid
CID 164659394
2-(azepan-1-yl)-4-fluorobenzoic acid
CID 79686942
1-(5-methyl-2-piperidin-1-ylphenyl)ethanone
CID 117309750
2-(azepan-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938994
2-(azepan-1-yl)-4-methylbenzenecarboximidamide
CID 55057394
4-methyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzoic acid
CID 62970275
4-methyl-2-(4-propylpiperidin-1-yl)benzoic acid
CID 62700990
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-4-methylbenzoic acid
CID 103356422
2-[4-(acetamidomethyl)piperidin-1-yl]-4-methylbenzoic acid
CID 102736410

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperidin-1-ylbenzoic acid?
The IUPAC name of 4-methyl-2-piperidin-1-ylbenzoic acid (CID 62710167) is 4-methyl-2-piperidin-1-ylbenzoic acid.
What is the SMILES notation for 4-methyl-2-piperidin-1-ylbenzoic acid?
The canonical SMILES for 4-methyl-2-piperidin-1-ylbenzoic acid is Cc1ccc(C(=O)O)c(N2CCCCC2)c1.
What is the InChIKey of 4-methyl-2-piperidin-1-ylbenzoic acid?
The InChIKey is UNDBIYDNOBYSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-5-6-11(13(15)16)12(9-10)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3,(H,15,16).
What are the key properties of 4-methyl-2-piperidin-1-ylbenzoic acid?
4-methyl-2-piperidin-1-ylbenzoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperidin-1-ylbenzoic acid is sourced from PubChem (CID 62710167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).