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57611-57-1 | Methyl 4-amino-1-benzylpiperidine-4-carboxylate
CAS No: 57611-57-1 Catalog No: AG003RUE MDL No:MFCD08751635
Product Description
Catalog Number:
AG003RUE
Chemical Name:
Methyl 4-amino-1-benzylpiperidine-4-carboxylate
CAS Number:
57611-57-1
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD08751635
IUPAC Name:
methyl 4-amino-1-benzylpiperidine-4-carboxylate
InChI:
InChI=1S/C14H20N2O2/c1-18-13(17)14(15)7-9-16(10-8-14)11-12-5-3-2-4-6-12/h2-6H,7-11,15H2,1H3
InChI Key:
GRSLQEBUAGDFDU-UHFFFAOYSA-N
SMILES:
COC(=O)C1(N)CCN(CC1)Cc1ccccc1
Properties
Complexity:
280
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:
4
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:
1.1
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