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1247885-09-1 | 4-Piperidinol, 5-aMino-3,3-diMethyl-1-[(4-Methylphenyl)sulfonyl]-
CAS No: 1247885-09-1 Catalog No: AG000MQU MDL No:
Product Description
Catalog Number:
AG000MQU
Chemical Name:
4-Piperidinol, 5-aMino-3,3-diMethyl-1-[(4-Methylphenyl)sulfonyl]-
CAS Number:
1247885-09-1
Molecular Formula:
C14H22N2O3S
Molecular Weight:
298.4011
IUPAC Name:
5-amino-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidin-4-ol
InChI:
InChI=1S/C14H22N2O3S/c1-10-4-6-11(7-5-10)20(18,19)16-8-12(15)13(17)14(2,3)9-16/h4-7,12-13,17H,8-9,15H2,1-3H3
InChI Key:
OXXVELQRWFHQRQ-UHFFFAOYSA-N
SMILES:
NC1CN(CC(C1O)(C)C)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.135g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.401g/mol
Monoisotopic Mass:
298.135g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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