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1289386-41-9 | Carbamic acid, N-methyl-N-[1-[1-(2-pyrazinyl)ethyl]-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1289386-41-9 Catalog No: AG000YM5 MDL No:
Product Description
Catalog Number:
AG000YM5
Chemical Name:
Carbamic acid, N-methyl-N-[1-[1-(2-pyrazinyl)ethyl]-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1289386-41-9
Molecular Formula:
C17H28N4O2
Molecular Weight:
320.4298
IUPAC Name:
tert-butyl N-methyl-N-[1-(1-pyrazin-2-ylethyl)piperidin-3-yl]carbamate
InChI:
InChI=1S/C17H28N4O2/c1-13(15-11-18-8-9-19-15)21-10-6-7-14(12-21)20(5)16(22)23-17(2,3)4/h8-9,11,13-14H,6-7,10,12H2,1-5H3
InChI Key:
DDVGNJVIPXZJAC-UHFFFAOYSA-N
SMILES:
O=C(N(C1CCCN(C1)C(c1cnccn1)C)C)OC(C)(C)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.221g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.437g/mol
Monoisotopic Mass:
320.221g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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