chempirical

1-(1-Benzothiophen-4-yl)piperazine hydrochloride

C12H15ClN2SCAS 913614-18-3254.78 g/mol

Open in Covalent MOL file
NHNSHCl
Secondary amineTertiary amine

Properties

Molecular formula
C12H15ClN2S
Molar mass
254.78 g/mol
Exact mass
254.0644 Da
logP
2.73Crippen estimate
Polar surface area
15.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
913614-18-3
SMILES
C1CN(CCN1)C2=C3C=CSC3=CC=C2.Cl
InChIKey
XDUUWPNOUUQXBX-UHFFFAOYSA-N
InChI
InChI=1S/C12H14N2S.ClH/c1-2-11(14-7-5-13-6-8-14)10-4-9-15-12(10)3-1;/h1-4,9,13H,5-8H2;1H

Weigh it out

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

Work with 1-(1-Benzothiophen-4-yl)piperazine hydrochloride

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

N-(2-Chlorophenyl)piperazine monohydrochloride41202-32-853 % similar 1-(1-Naphthyl)piperazine57536-86-451 % similar 1-(2,3-Dichlorophenyl)piperazine hydrochloride119532-26-250 % similar 1-(2,3-Dimethylphenyl)piperazine hydrochloride80836-96-049 % similar 1-(2-Fluorophenyl)piperazine hydrochloride1011-16-149 % similar N-(2-Methylphenyl)piperazine hydrochloride70849-60-449 % similar 3-(1-Piperazinyl)-1,2-benzisothiazole hydrochloride144010-02-647 % similar 1-(2-Ethoxyphenyl)piperazine hydrochloride83081-75-847 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook