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20845-59-4 | 1H-Inden-1-ol, 2,3-dihydro-2-(1-methyl-4-piperidinyl)-1-phenyl-
CAS No: 20845-59-4 Catalog No: AG002JP5 MDL No:
Product Description
Catalog Number:
AG002JP5
Chemical Name:
1H-Inden-1-ol, 2,3-dihydro-2-(1-methyl-4-piperidinyl)-1-phenyl-
CAS Number:
20845-59-4
Molecular Formula:
C21H25NO
Molecular Weight:
307.4293
IUPAC Name:
2-(1-methylpiperidin-4-yl)-1-phenyl-2,3-dihydroinden-1-ol
InChI:
InChI=1S/C21H25NO/c1-22-13-11-16(12-14-22)20-15-17-7-5-6-10-19(17)21(20,23)18-8-3-2-4-9-18/h2-10,16,20,23H,11-15H2,1H3
InChI Key:
KXTACQQMODGTMI-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)C1Cc2c(C1(O)c1ccccc1)cccc2
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.194g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
307.437g/mol
Monoisotopic Mass:
307.194g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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