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Home > Pyridines > 1253403-51-8
1253403-51-8 | tert-Butyl [1-(pyridin-3-ylmethyl)piperidin-4-yl]methylcarbamate
CAS No: 1253403-51-8 Catalog No: AG01F5SA MDL No:
Product Description
Catalog Number:
AG01F5SA
Chemical Name:
tert-Butyl [1-(pyridin-3-ylmethyl)piperidin-4-yl]methylcarbamate
CAS Number:
1253403-51-8
Molecular Formula:
C17H27N3O2
Molecular Weight:
305.4152
IUPAC Name:
tert-butyl N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)19-12-14-6-9-20(10-7-14)13-15-5-4-8-18-11-15/h4-5,8,11,14H,6-7,9-10,12-13H2,1-3H3,(H,19,21)
InChI Key:
BETOTKLYLHVKNZ-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCN(CC1)Cc1cccnc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.21g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.422g/mol
Monoisotopic Mass:
305.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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