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Compound FL0161

CAT: 0013-GTR19269728-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269728-02Size:100 mg
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Description
Compound FL0161, with CAS No. 95533-25-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0161 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
95533-25-8
Smiles
COC (=O) CC1CCN (C) CC1
Molecular Formula
C9H17NO2
Molecular Weight
171.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 2-(1-methylpiperidin-4-yl)acetate
CAS Number95533-25-8
PubChem CID19425952
IUPAC Namemethyl 2-(1-methylpiperidin-4-yl)acetate
Molecular FormulaC9H17NO2
Molecular Weight171.24
XLogP0.8
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity151
SMILES
CN1CCC(CC1)CC(=O)OC
InChI
InChI=1S/C9H17NO2/c1-10-5-3-8(4-6-10)7-9(11)12-2/h8H,3-7H2,1-2H3
InChIKey
BMFMUHLTSDBYKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-(1-methylpiperidin-4-yl)acetate
CAS: 95533-25-8
CID: 19425952
Formula: C9H17NO2
MW: 171.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.24
XLogP30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass171.125928785
Monoisotopic Mass171.125928785
Topological Polar Surface Area29.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity151
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

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