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160358-09-8 | 4-Piperidinamine, 1-[(3,5-difluorophenyl)methyl]-
CAS No: 160358-09-8 Catalog No: AG001RV7 MDL No:
Product Description
Catalog Number:
AG001RV7
Chemical Name:
4-Piperidinamine, 1-[(3,5-difluorophenyl)methyl]-
CAS Number:
160358-09-8
Molecular Formula:
C12H16F2N2
Molecular Weight:
226.2656
IUPAC Name:
1-[(3,5-difluorophenyl)methyl]piperidin-4-amine
InChI:
InChI=1S/C12H16F2N2/c13-10-5-9(6-11(14)7-10)8-16-3-1-12(15)2-4-16/h5-7,12H,1-4,8,15H2
InChI Key:
BPRKIKNLVZACAX-UHFFFAOYSA-N
SMILES:
NC1CCN(CC1)Cc1cc(F)cc(c1)F
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.128g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.271g/mol
Monoisotopic Mass:
226.128g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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