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1024-16-4,MFCD00023749
Catalog No.:AA0007A1
1024-16-4 | 1-Benzyl-4-(ethylamino)piperidine-4-carbonitrile
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  • Technical Information
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Technical Information
Catalog Number:
AA0007A1
Chemical Name:
1-Benzyl-4-(ethylamino)piperidine-4-carbonitrile
CAS Number:
1024-16-4
Molecular Formula:
C15H21N3
Molecular Weight:
243.3473
MDL Number:
MFCD00023749
IUPAC Name:
1-benzyl-4-(ethylamino)piperidine-4-carbonitrile
InChI:
InChI=1S/C15H21N3/c1-2-17-15(13-16)8-10-18(11-9-15)12-14-6-4-3-5-7-14/h3-7,17H,2,8-12H2,1H3
InChI Key:
NPYMJCBIPUSGQF-UHFFFAOYSA-N
SMILES:
CCNC1(CCN(CC1)Cc1ccccc1)C#N
EC Number:
213-830-5
NSC Number:
72998
Properties
Computed Properties
 
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.174g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
243.354g/mol
Monoisotopic Mass:
243.174g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
39.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

Synonyms
 
1-Benzyl-4-(ethylamino)piperidine-4-carbonitrile 
1024-16-4 
CTK4A1022 
DTXSID10145037 
NPYMJCBIPUSGQF-UHFFFAOYSA-N 
HMS3085C06 
ZINC393834 
NSC-72998 
AKOS005880502 
MCULE-5456412216 
SMR001559750 
1-benzyl-4-cyano-4-(ethylamino)piperidine 
MLS002693809 
1-benzyl-4-ethylaminopiperidine-4-carbonitrile 
1-BENZYL-4-CYANO-4-(ETHYLAMINO)-PIPERIDINE 
4-Ethylamino-1-phenylmethyl-4-piperidinecarbonitrile 
4-Piperidinecarbonitrile,4-(ethylamino)-1-(phenylmethyl)- 
C15H21N3 
CID70558 
AR-1C1781 
C15-H21-N3 
1030-02-0 
NSC72998 
EINECS 213-830-5 
AC1L2ECE 
AC1Q31FR 
AC1Q4RN9 
SCHEMBL971739 
CHEMBL1710040 
Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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