Home Other Building Blocks 3-(piperidin-3-yl)butanoic acid

3-(piperidin-3-yl)butanoic acid

CAS No.:
1334486-36-0
Catalog Number:
AG01A0BS
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
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Product Description
Catalog Number:
AG01A0BS
Chemical Name:
3-(piperidin-3-yl)butanoic acid
CAS Number:
1334486-36-0
Molecular Formula:
C9H17NO2
Molecular Weight:
171.2368
MDL Number:
MFCD20232627
IUPAC Name:
3-piperidin-3-ylbutanoic acid
InChI:
InChI=1S/C9H17NO2/c1-7(5-9(11)12)8-3-2-4-10-6-8/h7-8,10H,2-6H2,1H3,(H,11,12)
InChI Key:
DXUVFXUATDRNTO-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C1CCCNC1)C
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.126g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
171.24g/mol
Monoisotopic Mass:
171.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  
Properties