Home Nitros 3-Piperidinemethanol, 1-(4-nitrophenyl)-

3-Piperidinemethanol, 1-(4-nitrophenyl)-

CAS No.:
166438-83-1
Catalog Number:
AG001WQ4
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
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Product Description
Catalog Number:
AG001WQ4
Chemical Name:
3-Piperidinemethanol, 1-(4-nitrophenyl)-
CAS Number:
166438-83-1
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
MDL Number:
MFCD11039478
IUPAC Name:
[1-(4-nitrophenyl)piperidin-3-yl]methanol
InChI:
InChI=1S/C12H16N2O3/c15-9-10-2-1-7-13(8-10)11-3-5-12(6-4-11)14(16)17/h3-6,10,15H,1-2,7-9H2
InChI Key:
GHESWKCVPRIYLS-UHFFFAOYSA-N
SMILES:
OCC1CCCN(C1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties