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125080-86-6 | 4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, trans- (9CI)
CAS No: 125080-86-6 Catalog No: AG000N3Q MDL No:
Product Description
Catalog Number:
AG000N3Q
Chemical Name:
4-Piperidinamine, 1-(2-ethoxyethyl)-3-methyl-N-phenyl-, trans- (9CI)
CAS Number:
125080-86-6
Molecular Formula:
C16H26N2O
Molecular Weight:
262.3904
IUPAC Name:
(3R,4S)-1-(2-ethoxyethyl)-3-methyl-2-phenylpiperidin-4-amine
InChI:
InChI=1S/C16H26N2O/c1-3-19-12-11-18-10-9-15(17)13(2)16(18)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12,17H2,1-2H3/t13-,15+,16?/m1/s1
InChI Key:
YWENPTPCTWCPKC-YISXUXMPSA-N
SMILES:
CCOCCN1CC[C@H]([C@@H](C1)C)Nc1ccccc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
262.205g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.397g/mol
Monoisotopic Mass:
262.205g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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