Name: Name:1-(4-tert-Butylbenzoyl)piperidine-4-carboxylic acid
Brand: Angene
SKU: AG00EE4R
Rating: 90 (10 reviews)

1-(4-tert-Butylbenzoyl)piperidine-4-carboxylic acid

CAS No.:

593261-87-1

Catalog Number:

AG00EE4R

Molecular Formula:

C17H23NO3

Molecular Weight:

289.3694

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

95%

In Stock USA

United States

$64

- +

95%

In Stock USA

United States

$125

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Product Description

Catalog Number:

AG00EE4R

Chemical Name:

1-(4-tert-Butylbenzoyl)piperidine-4-carboxylic acid

CAS Number:

593261-87-1

Molecular Formula:

C17H23NO3

Molecular Weight:

289.3694

MDL Number:

MFCD03056632

IUPAC Name:

1-(4-tert-butylbenzoyl)piperidine-4-carboxylic acid

InChI:

InChI=1S/C17H23NO3/c1-17(2,3)14-6-4-12(5-7-14)15(19)18-10-8-13(9-11-18)16(20)21/h4-7,13H,8-11H2,1-3H3,(H,20,21)

InChI Key:

BJBSXVBIXHZPGO-UHFFFAOYSA-N

SMILES:

O=C(c1ccc(cc1)C(C)(C)C)N1CCC(CC1)C(=O)O

Properties

Complexity:

383

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

289.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

289.375g/mol

Monoisotopic Mass:

289.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101