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139062-92-3 | Carbamic acid, N-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 139062-92-3 Catalog No: AG001A44 MDL No:
Product Description
Catalog Number:
AG001A44
Chemical Name:
Carbamic acid, N-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
139062-92-3
Molecular Formula:
C18H28N2O2
Molecular Weight:
304.4271
IUPAC Name:
tert-butyl N-(1-benzylpiperidin-4-yl)-N-methylcarbamate
InChI:
InChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)19(4)16-10-12-20(13-11-16)14-15-8-6-5-7-9-15/h5-9,16H,10-14H2,1-4H3
InChI Key:
PPZIGCVMYZRQPN-UHFFFAOYSA-N
SMILES:
O=C(N(C1CCN(CC1)Cc1ccccc1)C)OC(C)(C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.215g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.434g/mol
Monoisotopic Mass:
304.215g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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