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1284112-64-6 | 1-Piperidinecarboxylic acid, 3-(cyclopropylamino)-, phenylmethyl ester
CAS No: 1284112-64-6 Catalog No: AG000Y1O MDL No:MFCD16496430
Product Description
Catalog Number:
AG000Y1O
Chemical Name:
1-Piperidinecarboxylic acid, 3-(cyclopropylamino)-, phenylmethyl ester
CAS Number:
1284112-64-6
Molecular Formula:
C16H22N2O2
Molecular Weight:
274.3581
MDL Number:
MFCD16496430
IUPAC Name:
benzyl 3-(cyclopropylamino)piperidine-1-carboxylate
InChI:
InChI=1S/C16H22N2O2/c19-16(20-12-13-5-2-1-3-6-13)18-10-4-7-15(11-18)17-14-8-9-14/h1-3,5-6,14-15,17H,4,7-12H2
InChI Key:
ZXXFGEDOFVJCCX-UHFFFAOYSA-N
SMILES:
O=C(N1CCCC(C1)NC1CC1)OCc1ccccc1
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.168g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.364g/mol
Monoisotopic Mass:
274.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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