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1707580-58-2 | tert-Butyl [4-(pyridin-3-yl)piperidin-4-yl]methylcarbamate
CAS No: 1707580-58-2 Catalog No: AG01F74J MDL No:
Product Description
Catalog Number:
AG01F74J
Chemical Name:
tert-Butyl [4-(pyridin-3-yl)piperidin-4-yl]methylcarbamate
CAS Number:
1707580-58-2
Molecular Formula:
C16H25N3O2
Molecular Weight:
291.3886
IUPAC Name:
tert-butyl N-[(4-pyridin-3-ylpiperidin-4-yl)methyl]carbamate
InChI:
InChI=1S/C16H25N3O2/c1-15(2,3)21-14(20)19-12-16(6-9-17-10-7-16)13-5-4-8-18-11-13/h4-5,8,11,17H,6-7,9-10,12H2,1-3H3,(H,19,20)
InChI Key:
MIKPQPFKUIHNKL-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1(CCNCC1)c1cccnc1
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.195g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.395g/mol
Monoisotopic Mass:
291.195g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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