chempirical

Biperiden

C21H29NOCAS 514-65-8311.47 g/mol

Open in Covalent MOL file
HON
AlcoholAlkeneTertiary amine

Properties

Molecular formula
C21H29NO
Molar mass
311.47 g/mol
Exact mass
311.2249 Da
Melting point
114 °C
logP
3.96Crippen estimate
Polar surface area
23.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
514-65-8
SMILES
OC(CCN1CCCCC1)(c1ccccc1)C1CC2C=CC1C2
InChIKey
YSXKPIUOCJLQIE-UHFFFAOYSA-N
InChI
InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2

Weigh it out

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

Names and synonyms

8 names
  • 1-Piperidinepropanol, α-bicyclo[2.2.1]hept-5-en-2-yl-α-phenyl-
  • 1-Piperidinepropanol, α-5-norbornen-2-yl-α-phenyl-
  • α-Bicyclo[2.2.1]hept-5-en-2-yl-α-phenyl-1-piperidinepropanol
  • α-(Bicyclo[2.2.1]hept-5-en-2-yl)-α-phenyl-1-piperidinopropanol
  • α-5-Norbornen-2-yl-α-phenyl-1-piperidinepropanol
  • KL 373
  • Akineton
  • 1-(5-Bicyclo[2.2.1]hept-2-enyl)-1-phenyl-3-piperidin-1-ylpropan-1-ol

Work with Biperiden

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Biperiden hydrochloride1235-82-1Salt

Similar compounds

(±)-Trihexyphenidyl hydrochloride52-49-354 % similar Diphenidol hydrochloride3254-89-542 % similar (S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine110529-22-133 % similar (R)-Alpha,alpha-diphenylmethylprolinol144119-12-033 % similar 1-Phenylcyclohexanol1589-60-232 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook