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BMT-108908

CAT: 0013-GTR19200539-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200539-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BMT-108908
CAS Number
1801151-15-4
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O=C1[C@@H] (CCN1CC2=CC=C (F) C=C2) N3CCC (CC3) C4=CC=C (O) C=C4
Molecular Formula
C22H25FN2O2
Molecular Weight
368.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3R)-1-[(4-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one
CAS Number1801151-15-4
PubChem CID118207404
IUPAC Name(3R)-1-[(4-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one
Molecular FormulaC22H25FN2O2
Molecular Weight368.4
XLogP3.4
Topological Polar Surface Area43.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity493
SMILES
C1CN(C(=O)[C@@H]1N2CCC(CC2)C3=CC=C(C=C3)O)CC4=CC=C(C=C4)F
InChI
InChI=1S/C22H25FN2O2/c23-19-5-1-16(2-6-19)15-25-14-11-21(22(25)27)24-12-9-18(10-13-24)17-3-7-20(26)8-4-17/h1-8,18,21,26H,9-15H2/t21-/m1/s1
InChIKey
KOQYBHVHTCKDIZ-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of (3R)-1-[(4-fluorophenyl)methyl]-3-[4-(4-hydroxyphenyl)piperidin-1-yl]pyrrolidin-2-one
CAS: 1801151-15-4
CID: 118207404
Formula: C22H25FN2O2
MW: 368.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.4
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass368.19000621
Monoisotopic Mass368.19000621
Topological Polar Surface Area43.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity493
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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