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Dextromethorphan Impurity 23

CAT: 1299-RM-D242038-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D242038-01Size:10 mg
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CAS Number
367520-37-4
Synonyms
1- (1- (2-benzylphenoxy) propan-2-yl) piperidin-4-ol
Molecular Formula
C21H27NO2
Molecular Weight
325.45
Target Alternative Name
Dextromethorphan
Product Name Synonym
1- (1- (2-benzylphenoxy) propan-2-yl) piperidin-4-ol

Chemical Information

1-[1-(2-Benzylphenoxy)propan-2-yl]piperidin-4-ol
CAS Number367520-37-4
PubChem CID11702590
IUPAC Name1-[1-(2-benzylphenoxy)propan-2-yl]piperidin-4-ol
Molecular FormulaC21H27NO2
Molecular Weight325.4
XLogP4.2
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity348
SMILES
CC(COC1=CC=CC=C1CC2=CC=CC=C2)N3CCC(CC3)O
InChI
InChI=1S/C21H27NO2/c1-17(22-13-11-20(23)12-14-22)16-24-21-10-6-5-9-19(21)15-18-7-3-2-4-8-18/h2-10,17,20,23H,11-16H2,1H3
InChIKey
IPHOAESKTRLYKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[1-(2-Benzylphenoxy)propan-2-yl]piperidin-4-ol
CAS: 367520-37-4
CID: 11702590
Formula: C21H27NO2
MW: 325.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight325.4
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass325.204179104
Monoisotopic Mass325.204179104
Topological Polar Surface Area32.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity348
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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