1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine;1-[2-(3,4-difluorophenyl)ethyl]-4-(2-pyridin-4-ylethyl)piperazine;1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol

C58H73Cl2F2N9O — CID 87704157

IUPAC1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine;1-[2-(3,4-difluorophenyl)ethyl]-4-(2-pyridin-4-ylethyl)piperazine;1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
SMILESCc1ccc(C(O)CN2CCN(CCc3ccccc3)CC2)cn1.Clc1ccc(CCN2CCN(CCc3ccccn3)CC2)cc1Cl.Fc1ccc(CCN2CCN(CCc3ccncc3)CC2)cc1F
InChIInChI=1S/C20H27N3O.C19H23Cl2N3.C19H23F2N3/c1-17-7-8-19(15-21-17)20(24)16-23-13-11-22(12-14-23)10-9-18-5-3-2-4-6-18;20-18-5-4-16(15-19(18)21)6-9-23-11-13-24(14-12-23)10-7-17-3-1-2-8-22-17;20-18-2-1-17(15-19(18)21)6-10-24-13-11-23(12-14-24)9-5-16-3-7-22-8-4-16/h2-8,15,20,24H,9-14,16H2,1H3;1-5,8,15H,6-7,9-14H2;1-4,7-8,15H,5-6,9-14H2
InChIKeyKTWDMUUQTREWDD-UHFFFAOYSA-N
MW1021.19 g/mol
LogP8.84
Rot. Bonds18

About 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine;1-[2-(3,4-difluorophenyl)ethyl]-4-(2-pyridin-4-ylethyl)piperazine;1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol

1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine;1-[2-(3,4-difluorophenyl)ethyl]-4-(2-pyridin-4-ylethyl)piperazine;1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol (PubChem CID 87704157) has the molecular formula C58H73Cl2F2N9O and a molecular weight of 1021.19 g/mol. Its IUPAC name is 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine;1-[2-(3,4-difluorophenyl)ethyl]-4-(2-pyridin-4-ylethyl)piperazine;1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine;1-[2-(3,4-difluorophenyl)ethyl]-4-(2-pyridin-4-ylethyl)piperazine;1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
PubChem CID87704157
Molecular FormulaC58H73Cl2F2N9O
Molecular Weight1021.19 g/mol
Exact Mass1019.53
IUPAC Name1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine;1-[2-(3,4-difluorophenyl)ethyl]-4-(2-pyridin-4-ylethyl)piperazine;1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol
SMILESCc1ccc(C(O)CN2CCN(CCc3ccccc3)CC2)cn1.Clc1ccc(CCN2CCN(CCc3ccccn3)CC2)cc1Cl.Fc1ccc(CCN2CCN(CCc3ccncc3)CC2)cc1F
InChIInChI=1S/C20H27N3O.C19H23Cl2N3.C19H23F2N3/c1-17-7-8-19(15-21-17)20(24)16-23-13-11-22(12-14-23)10-9-18-5-3-2-4-6-18;20-18-5-4-16(15-19(18)21)6-9-23-11-13-24(14-12-23)10-7-17-3-1-2-8-22-17;20-18-2-1-17(15-19(18)21)6-10-24-13-11-23(12-14-24)9-5-16-3-7-22-8-4-16/h2-8,15,20,24H,9-14,16H2,1H3;1-5,8,15H,6-7,9-14H2;1-4,7-8,15H,5-6,9-14H2
InChIKeyKTWDMUUQTREWDD-UHFFFAOYSA-N
XLogP8.84
TPSA78.34 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.19
LogP ≤ 58.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine;1-[2-(3,4-difluorophenyl)ethyl]-4-(2-pyridin-4-ylethyl)piperazine;1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine;1-[2-(3,4-difluorophenyl)ethyl]-4-(2-pyridin-4-ylethyl)piperazine;1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine;1-[2-(3,4-difluorophenyl)ethyl]-4-(2-pyridin-4-ylethyl)piperazine;1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol (CID 87704157) is 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine;1-[2-(3,4-difluorophenyl)ethyl]-4-(2-pyridin-4-ylethyl)piperazine;1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine;1-[2-(3,4-difluorophenyl)ethyl]-4-(2-pyridin-4-ylethyl)piperazine;1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine;1-[2-(3,4-difluorophenyl)ethyl]-4-(2-pyridin-4-ylethyl)piperazine;1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol is Cc1ccc(C(O)CN2CCN(CCc3ccccc3)CC2)cn1.Clc1ccc(CCN2CCN(CCc3ccccn3)CC2)cc1Cl.Fc1ccc(CCN2CCN(CCc3ccncc3)CC2)cc1F.
What is the InChIKey of 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine;1-[2-(3,4-difluorophenyl)ethyl]-4-(2-pyridin-4-ylethyl)piperazine;1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol?
The InChIKey is KTWDMUUQTREWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O.C19H23Cl2N3.C19H23F2N3/c1-17-7-8-19(15-21-17)20(24)16-23-13-11-22(12-14-23)10-9-18-5-3-2-4-6-18;20-18-5-4-16(15-19(18)21)6-9-23-11-13-24(14-12-23)10-7-17-3-1-2-8-22-17;20-18-2-1-17(15-19(18)21)6-10-24-13-11-23(12-14-24)9-5-16-3-7-22-8-4-16/h2-8,15,20,24H,9-14,16H2,1H3;1-5,8,15H,6-7,9-14H2;1-4,7-8,15H,5-6,9-14H2.
What are the key properties of 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine;1-[2-(3,4-difluorophenyl)ethyl]-4-(2-pyridin-4-ylethyl)piperazine;1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol?
1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine;1-[2-(3,4-difluorophenyl)ethyl]-4-(2-pyridin-4-ylethyl)piperazine;1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol has a molecular weight of 1021.19 g/mol, XLogP of 8.84, 18 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dichlorophenyl)ethyl]-4-(2-pyridin-2-ylethyl)piperazine;1-[2-(3,4-difluorophenyl)ethyl]-4-(2-pyridin-4-ylethyl)piperazine;1-(6-methyl-3-pyridinyl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 87704157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).