Home Halogens 2-[(3-aminopiperidin-1-yl)methyl]-4-chlorophenol

2-[(3-aminopiperidin-1-yl)methyl]-4-chlorophenol

CAS No.:
1249550-70-6
Catalog Number:
AG01AHAS
Molecular Formula:
C12H17ClN2O
Molecular Weight:
240.7292
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Product Description
Catalog Number:
AG01AHAS
Chemical Name:
2-[(3-aminopiperidin-1-yl)methyl]-4-chlorophenol
CAS Number:
1249550-70-6
Molecular Formula:
C12H17ClN2O
Molecular Weight:
240.7292
MDL Number:
MFCD14617598
IUPAC Name:
2-[(3-aminopiperidin-1-yl)methyl]-4-chlorophenol
InChI:
InChI=1S/C12H17ClN2O/c13-10-3-4-12(16)9(6-10)7-15-5-1-2-11(14)8-15/h3-4,6,11,16H,1-2,5,7-8,14H2
InChI Key:
UHPPSCWPDXDGGW-UHFFFAOYSA-N
SMILES:
NC1CCCN(C1)Cc1cc(Cl)ccc1O
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.103g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
240.731g/mol
Monoisotopic Mass:
240.103g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
49.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties