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1217977-05-3 | 1-Piperidinecarboxylic acid, 3-(aminomethyl)-, phenylmethyl ester, (3S)-
CAS No: 1217977-05-3 Catalog No: AG00161Q MDL No:MFCD17168403
Product Description
Catalog Number:
AG00161Q
Chemical Name:
1-Piperidinecarboxylic acid, 3-(aminomethyl)-, phenylmethyl ester, (3S)-
CAS Number:
1217977-05-3
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD17168403
IUPAC Name:
benzyl (3S)-3-(aminomethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C14H20N2O2/c15-9-13-7-4-8-16(10-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,15H2/t13-/m0/s1
InChI Key:
PAIJQGYSIGOWOF-ZDUSSCGKSA-N
SMILES:
NC[C@@H]1CCCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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