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Trimeperidine hydrochloride

CAT: 0926-FT28513Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-FT28513Size:1 mg
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CAS Number
125-80-4
Synonyms
1,2,5-Trimethyl-4-phenyl-4-piperidinol 4-propanoate hydrochloride;1,2,5-Trimethyl-4-phenyl-4-piperidinol propionate hydrochloride; Pr opionic acid 1,2,5-trimethyl-4-phenyl-4-piperidyl ester hydrochloride
Smiles
CCC (=O) OC1 (CC (N (CC1C) C) C) C2=CC=CC=C2.Cl
Molecular Formula
C17H26ClNO2
Molecular Weight
311.85 g/mol
Controlled
Yes

Chemical Information

Trimeperidine hydrochloride
CAS Number125-80-4
PubChem CID98519
IUPAC Name(1,2,5-trimethyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride
Molecular FormulaC17H26ClNO2
Molecular Weight311.8
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity338
SMILES
CCC(=O)OC1(CC(N(CC1C)C)C)C2=CC=CC=C2.Cl
InChI
InChI=1S/C17H25NO2.ClH/c1-5-16(19)20-17(15-9-7-6-8-10-15)11-14(3)18(4)12-13(17)2;/h6-10,13-14H,5,11-12H2,1-4H3;1H
InChIKey
USGVEUCDHRWIRO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trimeperidine hydrochloride
CAS: 125-80-4
CID: 98519
Formula: C17H26ClNO2
MW: 311.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass311.1652068
Monoisotopic Mass311.1652068
Topological Polar Surface Area29.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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