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SMANT hydrochloride

CAT: 0127-BUP06305-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP06305-01Size:10 mg
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CAS Number
1177600-74-6
Synonyms
SMANT HCl, N- (4-bromophenyl) -3- (3,5-dimethylpiperidin-1-yl) propanamide hydrochloride, N- (4-Bromophenyl) -3,5-dimethyl-1-piperidinepropanamide hydrochloride, hydrochloride, N- (4-bromophenyl) -3- (3,5-dimethylpiperidin-1-yl) propanamide; hydrochloride, N- (4-bromophenyl) -3- (3,5-dimethylpiperidin-1-yl) propanamide
Purity
=98%
Smiles
CN(C)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(F)cc2)n2nc(cc2n1)C(C)(C)C

Chemical Information

N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide hydrochloride
CAS Number1177600-74-6
PubChem CID2900213
IUPAC NameN-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide;hydrochloride
Molecular FormulaC16H24BrClN2O
Molecular Weight375.7
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity306
SMILES
CC1CC(CN(C1)CCC(=O)NC2=CC=C(C=C2)Br)C.Cl
InChI
InChI=1S/C16H23BrN2O.ClH/c1-12-9-13(2)11-19(10-12)8-7-16(20)18-15-5-3-14(17)4-6-15;/h3-6,12-13H,7-11H2,1-2H3,(H,18,20);1H
InChIKey
XQESCHFXROUCOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-bromophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide hydrochloride
CAS: 1177600-74-6
CID: 2900213
Formula: C16H24BrClN2O
MW: 375.7
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight375.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass374.07605
Monoisotopic Mass374.07605
Topological Polar Surface Area32.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity306
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes