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876316-35-7 | Benzyl 4-((methylamino)methyl)piperidine-1-carboxylate
CAS No: 876316-35-7 Catalog No: AG004HVO MDL No:MFCD08271878
Product Description
Catalog Number:
AG004HVO
Chemical Name:
Benzyl 4-((methylamino)methyl)piperidine-1-carboxylate
CAS Number:
876316-35-7
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
MDL Number:
MFCD08271878
IUPAC Name:
benzyl 4-(methylaminomethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C15H22N2O2/c1-16-11-13-7-9-17(10-8-13)15(18)19-12-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3
InChI Key:
PIHPTZDHTMZDGE-UHFFFAOYSA-N
SMILES:
CNCC1CCN(CC1)C(=O)OCc1ccccc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.353g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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