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Niraparib Impurity 3

CAT: 1596-AR-N08798-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-N08798-05Size:150
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CAS Number
1263284-59-8
Synonyms
Tert-butyl (R) -3- (4-aminophenyl) piperidine-1-carboxylate
Molecular Formula
C14H20N4O3
Molecular Weight
276.38
API Name
Niraparib

Chemical Information

(R)-tert-butyl 3-(4-aminophenyl)piperidine-1-carboxylate
CAS Number1263284-59-8
PubChem CID34178086
IUPAC Nametert-butyl (3R)-3-(4-aminophenyl)piperidine-1-carboxylate
Molecular FormulaC16H24N2O2
Molecular Weight276.37
XLogP2.7
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity330
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H](C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)18-10-4-5-13(11-18)12-6-8-14(17)9-7-12/h6-9,13H,4-5,10-11,17H2,1-3H3/t13-/m0/s1
InChIKey
SWUANUQBXJNXGP-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of (R)-tert-butyl 3-(4-aminophenyl)piperidine-1-carboxylate
CAS: 1263284-59-8
CID: 34178086
Formula: C16H24N2O2
MW: 276.37
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight276.37
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass276.183778013
Monoisotopic Mass276.183778013
Topological Polar Surface Area55.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity330
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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