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846043-59-2 | Methyl ((3R,4R);-1-benzyl-4-methylpiperidin-3-yl);carbamate hydrochloride
CAS No: 846043-59-2 Catalog No: AG00511L MDL No:MFCD11044502
Product Description
Catalog Number:
AG00511L
Chemical Name:
Methyl ((3R,4R);-1-benzyl-4-methylpiperidin-3-yl);carbamate hydrochloride
CAS Number:
846043-59-2
Molecular Formula:
C15H23ClN2O2
Molecular Weight:
298.8083
MDL Number:
MFCD11044502
IUPAC Name:
methyl N-[(3R,4R)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride
InChI:
InChI=1S/C15H22N2O2.ClH/c1-12-8-9-17(10-13-6-4-3-5-7-13)11-14(12)16-15(18)19-2;/h3-7,12,14H,8-11H2,1-2H3,(H,16,18);1H/t12-,14+;/m1./s1
InChI Key:
HIBZBVJEHDKCNZ-OJMBIDBESA-N
SMILES:
COC(=O)N[C@H]1CN(CC[C@H]1C)Cc1ccccc1.Cl
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
298.145g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.811g/mol
Monoisotopic Mass:
298.145g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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