Home Other Building Blocks 1-(3,3-Diphenylpropyl)piperidine

1-(3,3-Diphenylpropyl)piperidine

CAS No.:
3540-95-2
Catalog Number:
AG00399V
Molecular Formula:
C20H25N
Molecular Weight:
279.4192
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Product Description
Catalog Number:
AG00399V
Chemical Name:
1-(3,3-Diphenylpropyl)piperidine
CAS Number:
3540-95-2
Molecular Formula:
C20H25N
Molecular Weight:
279.4192
MDL Number:
MFCD00865188
IUPAC Name:
1-(3,3-diphenylpropyl)piperidine
InChI:
InChI=1S/C20H25N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,20H,3,8-9,14-17H2
InChI Key:
JXJPYHDHJZJWRI-UHFFFAOYSA-N
SMILES:
C1CCN(CC1)CCC(c1ccccc1)c1ccccc1
UNII:
S2FVB1RL5X
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.199g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.427g/mol
Monoisotopic Mass:
279.199g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
Quantitative structure-activity relationships studies of CCR5 inhibitors and toxicity of aromatic compounds using gene expression programming. European journal of medicinal chemistry 20100101
Molecular modeling studies of 4,5-dihydro-1H-pyrazolo[4,3-h] quinazoline derivatives as potent CDK2/Cyclin a inhibitors using 3D-QSAR and docking. International journal of molecular sciences 20100101
Current mathematical methods used in QSAR/QSPR studies. International journal of molecular sciences 20090501
Prediction of CCR5 receptor binding affinity of substituted 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas based on the heuristic method, support vector machine and projection pursuit regression. European journal of medicinal chemistry 20090101
3D-QSAR studies of substituted 1-(3, 3-diphenylpropyl)-piperidinyl amides and ureas as CCR5 receptor antagonists. Journal of molecular modeling 20070401
Comparative QSAR modeling of CCR5 receptor binding affinity of substituted 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas. Bioorganic & medicinal chemistry letters 20060901
Modulators of the human CCR5 receptor. Part 1: Discovery and initial SAR of 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas. Bioorganic & medicinal chemistry letters 20050103
Chemistry of dicationic electrophiles: superacid-catalyzed reactions of amino acetals. The Journal of organic chemistry 20020712
Properties