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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

3-(1-piperidinylmethyl)benzoic acid

OC(=O)c1cccc(c1)CN1CCCCC1 Request for Quotation
Chemical Name: 3-(1-piperidinylmethyl)benzoic acid
CAS Number: 158861-24-6
Product Number: AG001QZ8(AGN-PC-0JQT2L)
Synonyms:
MDL No:
Molecular Formula: C13H17NO2
Molecular Weight: 219.2796

Identification/Properties

Computed Properties
Molecular Weight:
219.284g/mol
XLogP3:
-0.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
219.126g/mol
Monoisotopic Mass:
219.126g/mol
Topological Polar Surface Area:
40.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
236
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum

Other Analytical Data

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Chemical Structure


The compound 3-(Piperidin-1-ylmethyl)benzoic acid plays a crucial role in chemical synthesis as a versatile building block. Its unique structure containing a piperidine ring and a carboxylic acid group offers a range of possibilities for synthetic chemistry applications. This compound can serve as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and materials due to its ability to undergo diverse chemical reactions. Through functional group transformations, cyclizations, and derivatizations, 3-(Piperidin-1-ylmethyl)benzoic acid can be tailored to introduce specific functionalities into target molecules, making it an essential component in the creation of novel compounds with desired properties. Furthermore, its presence in the molecular structure of various bioactive molecules underscores its significance in medicinal chemistry and drug discovery.