AG00CLNB

333986-52-0 | 1-Boc-4-[(4-cyanophenyl)amino]-piperidine

AG00CLNB

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CAS Number	333986-52-0
Catalog Number	AG00CLNB(AGN-PC-0R8X6G)
Chemical Name	1-Boc-4-[(4-cyanophenyl)amino]-piperidine
IUPAC Name	tert-butyl 4-(4-cyanoanilino)piperidine-1-carboxylate
InChI	InChI=1S/C17H23N3O2/c1-17(2,3)22-16(21)20-10-8-15(9-11-20)19-14-6-4-13(12-18)5-7-14/h4-7,15,19H,8-11H2,1-3H3
InChI Key	RMIWINONAYEREJ-UHFFFAOYSA-N
MDL Number	MFCD11849745
Molecular Formula	C17H23N3O2
Molecular Weight	301.3834
SMILES	N#CC1=CC=C(NC2CCN(C(OC(C)(C)C)=O)CC2)C=C1
Synonyms	333986-52-0, 1-BOC-4-[(4-CYANOPHENYL)AMINO]-PIPERIDINE, 1,1-dimethylethyl 4-((4-cyanophenyl)amino)-1-piperidinecarboxylate, 1,1-Dimethylethyl 4-[(4-cyanophenyl)amino]-1-piperidinecarboxylate, SCHEMBL377889, KS-00000TBV, RMIWINONAYEREJ-UHFFFAOYSA-N, MFCD11849745, ZINC95495792, AKOS026673662, DS-9887, AK197643, Y1746, K-7703, tert-butyl 4-(4-cyanoanilino)piperidine-1-carboxylate, tert-butyl 4-(4-cyanophenylamino)piperidine-1-carboxylate, 4-(4-cyano-phenylamino)-piperidine-1-carboxylic acid tert-butyl ester, C17H23N3O2, tert-butyl4-(4-cyanophenylamino)piperidine-1-carboxylate,

Complexity	419
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	301.179g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	301.39g/mol
Monoisotopic Mass	301.179g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	65.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

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