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1-Piperazinehexanoic acid

CAT: 0931-T89053-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T89053-01Size:10 mg
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CAS Number
17096-76-3
Bioactivity
1-Piperazinehexanoic acid is a PROTAC linker and serves as a crucial intermediate in the synthesis of the complete JMV7048.
Smiles
O=C(O)CCCCCN1CCNCC1
Molecular Formula
C10H20N2O2
Molecular Weight
200.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Piperazinehexanoic acid
CAS Number17096-76-3
PubChem CID54010280
IUPAC Name6-piperazin-1-ylhexanoic acid
Molecular FormulaC10H20N2O2
Molecular Weight200.28
XLogP-2.1
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count14
Formal Charge0
Complexity168
SMILES
C1CN(CCN1)CCCCCC(=O)O
InChI
InChI=1S/C10H20N2O2/c13-10(14)4-2-1-3-7-12-8-5-11-6-9-12/h11H,1-9H2,(H,13,14)
InChIKey
MPLRMSCULRDKFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Piperazinehexanoic acid
CAS: 17096-76-3
CID: 54010280
Formula: C10H20N2O2
MW: 200.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight200.28
XLogP3-2.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass200.152477885
Monoisotopic Mass200.152477885
Topological Polar Surface Area52.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity168
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