Palbociclib Impurity 78

CAT: 1299-RM-P020378-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P020378-02Size:25 mg

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CAS Number

1245914-05-9

Synonyms

Tert-butyl 4- (5-aminopyridin-3-yl) piperazine-1-carboxylate

Molecular Formula

C14H22N4O2

Molecular Weight

278.35

Target Alternative Name

Palbociclib

Product Name Synonym

Tert-butyl 4- (5-aminopyridin-3-yl) piperazine-1-carboxylate

Chemical Information

Tert-butyl 4-(5-aminopyridin-3-yl)piperazine-1-carboxylate

CAS Number	1245914-05-9
PubChem CID	83745460
IUPAC Name	tert-butyl 4-(5-amino-3-pyridinyl)piperazine-1-carboxylate
Molecular Formula	C14H22N4O2
Molecular Weight	278.35
XLogP	1
Topological Polar Surface Area	71.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	335

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=CC(=C2)N

InChI

InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-6-4-17(5-7-18)12-8-11(15)9-16-10-12/h8-10H,4-7,15H2,1-3H3

InChIKey

NZFUVIYLYULVSP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1245914-05-9

CID: 83745460

Formula: C14H22N4O2

MW: 278.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	278.35
XLogP3	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	278.17427596
Monoisotopic Mass	278.17427596
Topological Polar Surface Area	71.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	335
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