Home Halogens 1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-amine

1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-amine

CAS No.:
1247574-31-7
Catalog Number:
AG01AH73
Molecular Formula:
C12H16ClFN2
Molecular Weight:
242.7202
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Product Description
Catalog Number:
AG01AH73
Chemical Name:
1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-amine
CAS Number:
1247574-31-7
Molecular Formula:
C12H16ClFN2
Molecular Weight:
242.7202
MDL Number:
MFCD14617774
IUPAC Name:
1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-amine
InChI:
InChI=1S/C12H16ClFN2/c13-12-6-10(14)4-3-9(12)7-16-5-1-2-11(15)8-16/h3-4,6,11H,1-2,5,7-8,15H2
InChI Key:
DZNJNOBGGIJDJQ-UHFFFAOYSA-N
SMILES:
NC1CCCN(C1)Cc1ccc(cc1Cl)F
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.099g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.722g/mol
Monoisotopic Mass:
242.099g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties