chempirical

Levodropropizine

C13H20N2O2CAS 99291-25-5236.32 g/mol

Open in Covalent MOL file
HOHONN
AlcoholTertiary amine

Properties

Molecular formula
C13H20N2O2
Molar mass
236.32 g/mol
Exact mass
236.1525 Da
Melting point
102–104 °C
logP
0.16Crippen estimate
Polar surface area
46.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
99291-25-5
SMILES
OC[C@@H](O)CN1CCN(c2ccccc2)CC1
InChIKey
PTVWPYVOOKLBCG-ZDUSSCGKSA-N
InChI
InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/t13-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • 1,2-Propanediol, 3-(4-phenyl-1-piperazinyl)-, (2S)-
  • 1,2-Propanediol, 3-(4-phenyl-1-piperazinyl)-, (S)-
  • (2S)-3-(4-Phenyl-1-piperazinyl)-1,2-propanediol
  • (-)-Dropropizine
  • l-Dropropizine
  • (S)-(-)-Dropropizine
  • LVDP
  • Levotuss
  • (2S)-3-(4-Phenylpiperazin-1-yl)propane-1,2-diol
  • (S)-Dropropizine

Work with Levodropropizine

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.

(R)-(+)-Dropropizine99291-24-4Enantiomer (±)-Dropropizine17692-31-8Stereo not defined

Similar compounds

1-Benzyl-4-phenylpiperazine3074-46-247 % similar N-Phenyldiethanolamine120-07-047 % similar N-Benzyl-3-hydroxyazetidine54881-13-943 % similar (3S)-1-(Phenylmethyl)-3-pyrrolidinol101385-90-443 % similar (R)-(+)-1-Benzyl-3-pyrrolidinol101930-07-843 % similar 1-(Phenylmethyl)-3-pyrrolidinol775-15-543 % similar 1-Phenylpyrrolidine4096-21-342 % similar 4-(3-Chlorophenyl)-α-(diphenylmethyl)-1-piperazineethanol dihydrochloride193611-72-242 % similar

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

Same formula

tert-Butyl N-((3-(aminomethyl)phenyl)methyl)carbamate108467-99-8 1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene108468-00-4 2-((1S,2S)-1-Ethyl-2-(phenylmethoxy)propyl)hydrazinecarboxaldehyde170985-85-0 N-[3-(Diethylamino)-4-methoxyphenyl]acetamide19433-93-3 Procaine59-46-1 tert-Butyl 4-aminophenethylcarbamate94838-59-2

Elsewhere

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