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Home > Pyridines > 1289386-45-3
1289386-45-3 | Carbamic acid, N-[1-[1-(2-pyridinyl)ethyl]-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS No: 1289386-45-3 Catalog No: AG000YM4 MDL No:
Product Description
Catalog Number:
AG000YM4
Chemical Name:
Carbamic acid, N-[1-[1-(2-pyridinyl)ethyl]-3-piperidinyl]-, 1,1-dimethylethyl ester
CAS Number:
1289386-45-3
Molecular Formula:
C17H27N3O2
Molecular Weight:
305.4152
IUPAC Name:
tert-butyl N-[1-(1-pyridin-2-ylethyl)piperidin-3-yl]carbamate
InChI:
InChI=1S/C17H27N3O2/c1-13(15-9-5-6-10-18-15)20-11-7-8-14(12-20)19-16(21)22-17(2,3)4/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3,(H,19,21)
InChI Key:
FHGVPLURQHUYFF-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NC1CCCN(C1)C(c1ccccn1)C
Properties
Complexity:
367
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:
5
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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