1-(2-chlorophenyl)-4-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]piperazine;hydrochloride

C27H30Cl2N2O — CID 139786189

IUPAC1-(2-chlorophenyl)-4-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]piperazine;hydrochloride
SMILESCl.Clc1ccccc1N1CCN(CCC2(c3ccccc3)COCc3ccccc32)CC1
InChIInChI=1S/C27H29ClN2O.ClH/c28-25-12-6-7-13-26(25)30-18-16-29(17-19-30)15-14-27(23-9-2-1-3-10-23)21-31-20-22-8-4-5-11-24(22)27;/h1-13H,14-21H2;1H
InChIKeyXEQBPNQBCLVJKJ-UHFFFAOYSA-N
MW469.46 g/mol
LogP5.79
Rot. Bonds5

About 1-(2-chlorophenyl)-4-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]piperazine;hydrochloride

1-(2-chlorophenyl)-4-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]piperazine;hydrochloride (PubChem CID 139786189) has the molecular formula C27H30Cl2N2O and a molecular weight of 469.46 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]piperazine;hydrochloride
PubChem CID139786189
Molecular FormulaC27H30Cl2N2O
Molecular Weight469.46 g/mol
Exact Mass468.17
IUPAC Name1-(2-chlorophenyl)-4-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]piperazine;hydrochloride
SMILESCl.Clc1ccccc1N1CCN(CCC2(c3ccccc3)COCc3ccccc32)CC1
InChIInChI=1S/C27H29ClN2O.ClH/c28-25-12-6-7-13-26(25)30-18-16-29(17-19-30)15-14-27(23-9-2-1-3-10-23)21-31-20-22-8-4-5-11-24(22)27;/h1-13H,14-21H2;1H
InChIKeyXEQBPNQBCLVJKJ-UHFFFAOYSA-N
XLogP5.79
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.46
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorophenyl)-4-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]piperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-4-[3-[4-(4-fluorophenyl)-1,3-dihydroisochromen-4-yl]propyl]piperazine;dihydrochloride
CID 19028870
3-[4-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperazin-1-yl]-1,2-benzothiazole
CID 19028773
4-phenyl-1-[3-(4-phenyl-1,3-dihydroisochromen-4-yl)propyl]piperidine
CID 19028738
N-benzyl-3-[4-(4-chlorophenyl)-1,3-dihydroisochromen-4-yl]propan-1-amine
CID 19028834
1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5H-4,1-benzoxazepin-2-one
CID 169212751
2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-2-phenylindene-1,3-dione
CID 3039724
1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-2,3-dihydroindole;oxalic acid
CID 162324636
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 3088491
4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
CID 60842133
4-[4-(2-chlorophenyl)piperazin-1-yl]butanenitrile
CID 43086163
N-benzyl-3-[7-chloro-4-(4-chlorophenyl)-1,3-dihydroisochromen-4-yl]propan-1-amine;hydrochloride
CID 19028937
1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine
CID 61396678

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]piperazine;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-4-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]piperazine;hydrochloride (CID 139786189) is 1-(2-chlorophenyl)-4-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]piperazine;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-4-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]piperazine;hydrochloride is Cl.Clc1ccccc1N1CCN(CCC2(c3ccccc3)COCc3ccccc32)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]piperazine;hydrochloride?
The InChIKey is XEQBPNQBCLVJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O.ClH/c28-25-12-6-7-13-26(25)30-18-16-29(17-19-30)15-14-27(23-9-2-1-3-10-23)21-31-20-22-8-4-5-11-24(22)27;/h1-13H,14-21H2;1H.
What are the key properties of 1-(2-chlorophenyl)-4-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]piperazine;hydrochloride?
1-(2-chlorophenyl)-4-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]piperazine;hydrochloride has a molecular weight of 469.46 g/mol, XLogP of 5.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[2-(4-phenyl-1,3-dihydroisochromen-4-yl)ethyl]piperazine;hydrochloride is sourced from PubChem (CID 139786189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).