chempirical

Azacyclonol

C18H21NOCAS 115-46-8267.37 g/mol

Open in Covalent MOL file
OHHN
AlcoholSecondary amine

Properties

Molecular formula
C18H21NO
Molar mass
267.37 g/mol
Exact mass
267.1623 Da
Melting point
160.5 °C
logP
2.92Crippen estimate
Polar surface area
32.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
115-46-8
SMILES
OC(c1ccccc1)(c1ccccc1)C1CCNCC1
InChIKey
ZMISODWVFHHWNR-UHFFFAOYSA-N
InChI
InChI=1S/C18H21NO/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,17,19-20H,11-14H2

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Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • 4-Piperidinemethanol, α,α-diphenyl-
  • α,α-Diphenyl-4-piperidinemethanol
  • MER 17
  • α-(4-Piperidyl)benzhydrol
  • γ-Pipradol
  • 4-(Diphenylhydroxymethyl)piperidine
  • 4-(Hydroxydiphenylmethyl)piperidine
  • MDL 4829
  • Ataractan
  • Calmeran
  • Diphenyl-4-piperidylmethanol
  • Frenoton
  • Psychosan
  • Diphenyl(piperidin-4-yl)methanol

Work with Azacyclonol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

α,α-Diphenyl-4-piperidinemethanol hydrochloride1798-50-190 % similar α-Cyclopropyl-α-phenylbenzenemethanol5785-66-074 % similar α,α-Diphenyl-L-prolinol112068-01-654 % similar (R)-α,α-Diphenylprolinol22348-32-954 % similar 4-Hydroxy-4-phenylpiperidine40807-61-248 % similar (S)-3-(1-Cyano-1,1-diphenylmethyl)pyrrolidine133099-11-347 % similar (2S)-1,1,2-Triphenyl-1,2-ethanediol108998-83-044 % similar 4-Phenylpiperidine771-99-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine110529-22-1 Mbba26227-73-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook