chempirical

(R)-(+)-Dropropizine

C13H20N2O2CAS 99291-24-4236.32 g/mol

Open in Covalent MOL file
NNOHHO
AlcoholTertiary amine

Properties

Molecular formula
C13H20N2O2
Molar mass
236.32 g/mol
Exact mass
236.1525 Da
logP
0.16Crippen estimate
Polar surface area
46.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Stereocentres
Rin SMILES atom order

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
99291-24-4
SMILES
C1CN(CCN1C[C@H](CO)O)C2=CC=CC=C2
InChIKey
PTVWPYVOOKLBCG-CYBMUJFWSA-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-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • (2R)-3-(4-Phenylpiperazin-1-yl)propane-1,2-diol

Work with (R)-(+)-Dropropizine

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.

Levodropropizine99291-25-5Enantiomer (±)-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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