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149710-89-4 | Phenol, 3-[(3R,4R)-1-[3-(2-furanyl)propyl]-3,4-dimethyl-4-piperidinyl]-, rel-
CAS No: 149710-89-4 Catalog No: AG001LYE MDL No:
Product Description
Catalog Number:
AG001LYE
Chemical Name:
Phenol, 3-[(3R,4R)-1-[3-(2-furanyl)propyl]-3,4-dimethyl-4-piperidinyl]-, rel-
CAS Number:
149710-89-4
Molecular Formula:
C20H27NO2
Molecular Weight:
313.4339
IUPAC Name:
3-[1-[3-(furan-2-yl)propyl]-3,4-dimethylpiperidin-4-yl]phenol
InChI:
InChI=1S/C20H27NO2/c1-16-15-21(11-4-8-19-9-5-13-23-19)12-10-20(16,2)17-6-3-7-18(22)14-17/h3,5-7,9,13-14,16,22H,4,8,10-12,15H2,1-2H3
InChI Key:
MDNFUQZTHRJSGF-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)[C@]1(C)CCN(C[C@@H]1C)CCCc1ccco1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.204g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.441g/mol
Monoisotopic Mass:
313.204g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
36.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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