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175136-85-3 | Methanone, (2,3,4,5,6-pentamethylphenyl)-4-piperidinyl-
CAS No: 175136-85-3 Catalog No: AG0020AI MDL No:MFCD00052949
Product Description
Catalog Number:
AG0020AI
Chemical Name:
Methanone, (2,3,4,5,6-pentamethylphenyl)-4-piperidinyl-
CAS Number:
175136-85-3
Molecular Formula:
C17H25NO
Molecular Weight:
259.3865
MDL Number:
MFCD00052949
IUPAC Name:
(2,3,4,5,6-pentamethylphenyl)-piperidin-4-ylmethanone
InChI:
InChI=1S/C17H25NO/c1-10-11(2)13(4)16(14(5)12(10)3)17(19)15-6-8-18-9-7-15/h15,18H,6-9H2,1-5H3
InChI Key:
KYUWWJRUBKMXCX-UHFFFAOYSA-N
SMILES:
O=C(c1c(C)c(C)c(c(c1C)C)C)C1CCNCC1
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.194g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.393g/mol
Monoisotopic Mass:
259.194g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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