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1289386-15-7 | Carbamic acid, N-[[1-[1-(2-thienyl)ethyl]-4-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1289386-15-7 Catalog No: AG000YL2 MDL No:
Product Description
Catalog Number:
AG000YL2
Chemical Name:
Carbamic acid, N-[[1-[1-(2-thienyl)ethyl]-4-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1289386-15-7
Molecular Formula:
C17H28N2O2S
Molecular Weight:
324.4814
IUPAC Name:
tert-butyl N-[[1-(1-thiophen-2-ylethyl)piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C17H28N2O2S/c1-13(15-6-5-11-22-15)19-9-7-14(8-10-19)12-18-16(20)21-17(2,3)4/h5-6,11,13-14H,7-10,12H2,1-4H3,(H,18,20)
InChI Key:
SPRLIMZPAMKGDN-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCN(CC1)C(c1cccs1)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.187g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.483g/mol
Monoisotopic Mass:
324.187g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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