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Palbociclib Impurity 76

CAT: 1299-RM-P020376-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P020376-02Size:25 mg
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CAS Number
1206248-85-2
Synonyms
Tert-butyl 4- (6-aminopyridin-2-yl) piperazine-1-carboxylate
Molecular Formula
C14H22N4O2
Molecular Weight
278.35
Target Alternative Name
Palbociclib
Product Name Synonym
Tert-butyl 4- (6-aminopyridin-2-yl) piperazine-1-carboxylate

Chemical Information

Tert-butyl 4-(6-aminopyridin-2-yl)piperazine-1-carboxylate
CAS Number1206248-85-2
PubChem CID50986448
IUPAC Nametert-butyl 4-(6-amino-2-pyridinyl)piperazine-1-carboxylate
Molecular FormulaC14H22N4O2
Molecular Weight278.35
XLogP1.6
Topological Polar Surface Area71.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity335
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC(=N2)N
InChI
InChI=1S/C14H22N4O2/c1-14(2,3)20-13(19)18-9-7-17(8-10-18)12-6-4-5-11(15)16-12/h4-6H,7-10H2,1-3H3,(H2,15,16)
InChIKey
AZMGCCTVXYWFDJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 4-(6-aminopyridin-2-yl)piperazine-1-carboxylate
CAS: 1206248-85-2
CID: 50986448
Formula: C14H22N4O2
MW: 278.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.35
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass278.17427596
Monoisotopic Mass278.17427596
Topological Polar Surface Area71.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity335
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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