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157023-34-2 | 1-Piperidinecarboxylic acid, 4-(aminomethyl)-, phenylmethyl ester
CAS No: 157023-34-2 Catalog No: AG001P6H MDL No:MFCD03001690
Product Description
Catalog Number:
AG001P6H
Chemical Name:
1-Piperidinecarboxylic acid, 4-(aminomethyl)-, phenylmethyl ester
CAS Number:
157023-34-2
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD03001690
IUPAC Name:
benzyl 4-(aminomethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C14H20N2O2/c15-10-12-6-8-16(9-7-12)14(17)18-11-13-4-2-1-3-5-13/h1-5,12H,6-11,15H2
InChI Key:
ABJVEAFRFGTATH-UHFFFAOYSA-N
SMILES:
NCC1CCN(CC1)C(=O)OCc1ccccc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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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