3-({(2R)-2-[2-(4-Methyl-1-Piperidinyl)Ethyl]-1-Pyrrolidinyl}Sulfonyl)Phenol

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Properties Simple | Detailed

Formula C18H28N2O3S
IUPAC Name 3-[(1s,2r)-2-[2-(4-methyl-1-piperidyl)ethyl]pyrrolidin-1-yl]sulfonylphenol
Molecular Mass 352.492 g·mol−1
Heat of Formation -518.9 ± 16.7 kJ·mol−1
Dipole Moment 6.31 ± 1.08 D
Volume 424.16 Å 3
Surface Area 335.77 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2r)-2-[2-(4-methyl-1-piperidyl)ethyl]pyrrolidin-1-yl]sulfonylphenol
  • 3-[(2r)-2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidin-1-yl]sulfonylphenol
  • 3-[[(2r)-2-[2-(4-methyl-1-piperidinyl)ethyl]-1-pyrrolidinyl]sulfonyl]phenol
  • tocris-1612
InChIKey HWKROQUZSKPIKQ-MRXNPFEDSA-N
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