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Home > Pyridines > 1289387-06-9
1289387-06-9 | Carbamic acid, N-[[1-[1-(2-pyridinyl)ethyl]-4-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1289387-06-9 Catalog No: AG000YN1 MDL No:
Product Description
Catalog Number:
AG000YN1
Chemical Name:
Carbamic acid, N-[[1-[1-(2-pyridinyl)ethyl]-4-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1289387-06-9
Molecular Formula:
C18H29N3O2
Molecular Weight:
319.4418
IUPAC Name:
tert-butyl N-[[1-(1-pyridin-2-ylethyl)piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C18H29N3O2/c1-14(16-7-5-6-10-19-16)21-11-8-15(9-12-21)13-20-17(22)23-18(2,3)4/h5-7,10,14-15H,8-9,11-13H2,1-4H3,(H,20,22)
InChI Key:
LBYCCMUITUMZQP-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCN(CC1)C(c1ccccn1)C
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.226g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.449g/mol
Monoisotopic Mass:
319.226g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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