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1021363-43-8 | 1-Piperidinecarboxylic acid, 4-[(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 1021363-43-8 Catalog No: AG0006PK MDL No:
Product Description
Catalog Number:
AG0006PK
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(4-cyanophenyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1021363-43-8
Molecular Formula:
C18H24N2O2
Molecular Weight:
300.3954
IUPAC Name:
tert-butyl 4-[(4-cyanophenyl)methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C18H24N2O2/c1-18(2,3)22-17(21)20-10-8-15(9-11-20)12-14-4-6-16(13-19)7-5-14/h4-7,15H,8-12H2,1-3H3
InChI Key:
ITXPMLWFIBYJIS-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.184g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.402g/mol
Monoisotopic Mass:
300.184g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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