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Compound Fr13342

CAT: 0013-GTR19269912-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269912-01Size:1 mg
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Description
Compound Fr13342, with CAS No. 622381-65-1, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13342 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
CAS Number
622381-65-1
Smiles
CN1CCN (Cc2ccc (CO) cc2) CC1
Molecular Formula
C13H20N2O
Molecular Weight
220.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

{4-[(4-Methylpiperazin-1-yl)methyl]phenyl}methanol

{4-[(4-Methylpiperazin-1-yl)methyl]phenyl}methanol is an aromatic amine.

CAS Number622381-65-1
PubChem CID7162037
IUPAC Name[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanol
Molecular FormulaC13H20N2O
Molecular Weight220.31
XLogP0.7
Topological Polar Surface Area26.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity194
SMILES
CN1CCN(CC1)CC2=CC=C(C=C2)CO
InChI
InChI=1S/C13H20N2O/c1-14-6-8-15(9-7-14)10-12-2-4-13(11-16)5-3-12/h2-5,16H,6-11H2,1H3
InChIKey
ADMFZWUKZBAYIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of {4-[(4-Methylpiperazin-1-yl)methyl]phenyl}methanol
CAS: 622381-65-1
CID: 7162037
Formula: C13H20N2O
MW: 220.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight220.31
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass220.157563266
Monoisotopic Mass220.157563266
Topological Polar Surface Area26.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity194
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

Related Products

CatalogName
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GTR19269911-01Compound Fr13326
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GTR19269881-01Compound Fr13143
GTR19269877-01Compound Fr13124
GTR19269931-01Compound Fr13540

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