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159691-33-5,MFCD05240080
Catalog No.:AA001R8J

159691-33-5 | 4-(Piperidin-1-ylmethyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
in stock  
$193.00   $135.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001R8J
Chemical Name:
4-(Piperidin-1-ylmethyl)benzoic acid
CAS Number:
159691-33-5
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
MDL Number:
MFCD05240080
SMILES:
OC(=O)c1ccc(cc1)CN1CCCCC1
Properties
Computed Properties
 
Complexity:
228  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-0.2  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:159691-33-5 Molecular Formula|159691-33-5 MDL|159691-33-5 SMILES|159691-33-5 4-(Piperidin-1-ylmethyl)benzoic acid
Catalog No.: AA001R8J
159691-33-5,MFCD05240080
159691-33-5 | 4-(Piperidin-1-ylmethyl)benzoic acid
Pack Size： 250mg
Purity：
in stock
$193.00 $135.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001R8J
Chemical Name: 4-(Piperidin-1-ylmethyl)benzoic acid
CAS Number: 159691-33-5
Molecular Formula: C13H17NO2
Molecular Weight: 219.2796
MDL Number: MFCD05240080
SMILES: OC(=O)c1ccc(cc1)CN1CCCCC1
Properties
Complexity: 228  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -0.2  
Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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