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968-86-5 | 1-Benzyl-4-(phenylamino)piperidine-4-carbonitrile
CAS No: 968-86-5 Catalog No: AG003DZV MDL No:MFCD00086217
Product Description
Catalog Number:
AG003DZV
Chemical Name:
1-Benzyl-4-(phenylamino)piperidine-4-carbonitrile
CAS Number:
968-86-5
Molecular Formula:
C19H21N3
Molecular Weight:
291.3901
MDL Number:
MFCD00086217
IUPAC Name:
4-anilino-1-benzylpiperidine-4-carbonitrile
InChI:
InChI=1S/C19H21N3/c20-16-19(21-18-9-5-2-6-10-18)11-13-22(14-12-19)15-17-7-3-1-4-8-17/h1-10,21H,11-15H2
InChI Key:
AYYPQRMTCMCFSL-UHFFFAOYSA-N
SMILES:
N#CC1(CCN(CC1)Cc1ccccc1)Nc1ccccc1
EC Number:
213-533-0
NSC Number:
73005
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.174g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.398g/mol
Monoisotopic Mass:
291.174g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| 4-Anilino-1-benzyl-piperidine-4-carbo-nitrile. | Acta crystallographica. Section E, Structure reports online 20080501 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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