Home Nitros 1-benzyl-4-(nitromethyl)piperidin-4-ol

1-benzyl-4-(nitromethyl)piperidin-4-ol

CAS No.:
34259-89-7
Catalog Number:
AG00CPS4
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
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Product Description
Catalog Number:
AG00CPS4
Chemical Name:
1-benzyl-4-(nitromethyl)piperidin-4-ol
CAS Number:
34259-89-7
Molecular Formula:
C13H18N2O3
Molecular Weight:
250.2936
MDL Number:
MFCD11840355
IUPAC Name:
1-benzyl-4-(nitromethyl)piperidin-4-ol
InChI:
InChI=1S/C13H18N2O3/c16-13(11-15(17)18)6-8-14(9-7-13)10-12-4-2-1-3-5-12/h1-5,16H,6-11H2
InChI Key:
KROYZEIFJNHYOI-UHFFFAOYSA-N
SMILES:
OC1(CCN(CC1)Cc1ccccc1)C[N+](=O)[O-]
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.132g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.298g/mol
Monoisotopic Mass:
250.132g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties