4-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine


Chemical Name: 4-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CAS Number: 885499-61-6
Product Number: AG00GU2D(AGN-PC-01LS6R)
Synonyms:
MDL No:
Molecular Formula: C18H20ClN5
Molecular Weight: 341.8379

Identification/Properties


Computed Properties
Molecular Weight:
341.843g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
341.141g/mol
Monoisotopic Mass:
341.141g/mol
Topological Polar Surface Area:
70.8A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
418
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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