4-(3-(4-Benzylpiperidin-1-Yl)Prop-1-Ynyl)Phenol

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Properties Simple | Detailed

Formula C21H23NO
IUPAC Name 4-[3-(4-benzyl-1-piperidyl)prop-1-ynyl]phenol
Molecular Mass 305.413 g·mol−1
Heat of Formation 194.5 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 398.38 Å 3
Surface Area 363.48 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.86 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[3-[4-(benzyl)-1-piperidyl]prop-1-ynyl]phenol
  • 4-[3-[4-(phenylmethyl)-1-piperidinyl]prop-1-ynyl]phenol
  • 4-[3-[4-(phenylmethyl)-1-piperidyl]prop-1-ynyl]phenol
  • 4-[3-[4-(phenylmethyl)piperidin-1-yl]prop-1-ynyl]phenol
InChIKey YZFVGINTZAFMNW-UHFFFAOYSA-N
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