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1170424-76-6 | 1-Piperidinecarboxylic acid, 4-[(phenylmethyl)amino]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS No: 1170424-76-6 Catalog No: AG000DLH MDL No:MFCD04972586
Product Description
Catalog Number:
AG000DLH
Chemical Name:
1-Piperidinecarboxylic acid, 4-[(phenylmethyl)amino]-, 1,1-dimethylethyl ester, hydrochloride (1:1)
CAS Number:
1170424-76-6
Molecular Formula:
C17H27ClN2O2
Molecular Weight:
326.8615
MDL Number:
MFCD04972586
IUPAC Name:
tert-butyl 4-(benzylamino)piperidine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C17H26N2O2.ClH/c1-17(2,3)21-16(20)19-11-9-15(10-12-19)18-13-14-7-5-4-6-8-14;/h4-8,15,18H,9-13H2,1-3H3;1H
InChI Key:
SXUOWEAWDJQIBX-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)NCc1ccccc1)OC(C)(C)C.Cl
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.176g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
326.865g/mol
Monoisotopic Mass:
326.176g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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