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Home > Other Heterocycles > 76735-20-1
76735-20-1 | 1,3,3-TRIMETHYL-6-(PIPERIDIN-1-YL)-2-OXABICYCLO[2.2.2]OCTAN-5-OL
CAS No: 76735-20-1 Catalog No: AG005UR1 MDL No:
Product Description
Catalog Number:
AG005UR1
Chemical Name:
1,3,3-TRIMETHYL-6-(PIPERIDIN-1-YL)-2-OXABICYCLO[2.2.2]OCTAN-5-OL
CAS Number:
76735-20-1
Molecular Formula:
C15H27NO2
Molecular Weight:
253.3804
IUPAC Name:
1,3,3-trimethyl-6-piperidin-1-yl-2-oxabicyclo[2.2.2]octan-5-ol
InChI:
InChI=1S/C15H27NO2/c1-14(2)11-7-8-15(3,18-14)13(12(11)17)16-9-5-4-6-10-16/h11-13,17H,4-10H2,1-3H3
InChI Key:
DYMQRJBTOVFIOV-UHFFFAOYSA-N
SMILES:
OC1C(N2CCCCC2)C2(C)CCC1C(O2)(C)C
NSC Number:
341649
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.204g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.386g/mol
Monoisotopic Mass:
253.204g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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