5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole

C57H59Cl4N9 — CID 157380297

IUPAC5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole
SMILESClc1cccc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2)c1.Clc1cccc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2)c1Cl.Clc1ccccc1N1CCN(Cc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C19H19Cl2N3.2C19H20ClN3/c20-16-2-1-3-18(19(16)21)24-10-8-23(9-11-24)13-14-4-5-17-15(12-14)6-7-22-17;20-17-2-1-3-18(13-17)23-10-8-22(9-11-23)14-15-4-5-19-16(12-15)6-7-21-19;20-17-3-1-2-4-19(17)23-11-9-22(10-12-23)14-15-5-6-18-16(13-15)7-8-21-18/h1-7,12,22H,8-11,13H2;1-7,12-13,21H,8-11,14H2;1-8,13,21H,9-12,14H2
InChIKeyBKULYPNCSXZPDX-UHFFFAOYSA-N
MW1011.97 g/mol
LogP13.08
Rot. Bonds9

About 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole

5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole (PubChem CID 157380297) has the molecular formula C57H59Cl4N9 and a molecular weight of 1011.97 g/mol. Its IUPAC name is 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole
PubChem CID157380297
Molecular FormulaC57H59Cl4N9
Molecular Weight1011.97 g/mol
Exact Mass1009.36
IUPAC Name5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole
SMILESClc1cccc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2)c1.Clc1cccc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2)c1Cl.Clc1ccccc1N1CCN(Cc2ccc3[nH]ccc3c2)CC1
InChIInChI=1S/C19H19Cl2N3.2C19H20ClN3/c20-16-2-1-3-18(19(16)21)24-10-8-23(9-11-24)13-14-4-5-17-15(12-14)6-7-22-17;20-17-2-1-3-18(13-17)23-10-8-22(9-11-23)14-15-4-5-19-16(12-15)6-7-21-19;20-17-3-1-2-4-19(17)23-11-9-22(10-12-23)14-15-5-6-18-16(13-15)7-8-21-18/h1-7,12,22H,8-11,13H2;1-7,12-13,21H,8-11,14H2;1-8,13,21H,9-12,14H2
InChIKeyBKULYPNCSXZPDX-UHFFFAOYSA-N
XLogP13.08
TPSA66.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.97
LogP ≤ 513.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole 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-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
1-(3-chlorophenyl)-4-[(2-chloro-4-pyridinyl)methyl]piperazine
CID 62047060
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole
CID 56895741
2-[4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetic acid
CID 20991836
7-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]chromen-2-one
CID 15431691
2-(3-chlorophenoxy)-N-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]acetamide
CID 44562416
5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
CID 90949338
N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 23826694
1-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]naphthalen-2-ol
CID 2845612
1-[(4-butoxyphenyl)methyl]-4-(3-chlorophenyl)piperazine
CID 2244902
4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 9172556

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole?
The IUPAC name of 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole (CID 157380297) is 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole?
The canonical SMILES for 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole is Clc1cccc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2)c1.Clc1cccc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2)c1Cl.Clc1ccccc1N1CCN(Cc2ccc3[nH]ccc3c2)CC1.
What is the InChIKey of 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole?
The InChIKey is BKULYPNCSXZPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3.2C19H20ClN3/c20-16-2-1-3-18(19(16)21)24-10-8-23(9-11-24)13-14-4-5-17-15(12-14)6-7-22-17;20-17-2-1-3-18(13-17)23-10-8-22(9-11-23)14-15-4-5-19-16(12-15)6-7-21-19;20-17-3-1-2-4-19(17)23-11-9-22(10-12-23)14-15-5-6-18-16(13-15)7-8-21-18/h1-7,12,22H,8-11,13H2;1-7,12-13,21H,8-11,14H2;1-8,13,21H,9-12,14H2.
What are the key properties of 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole?
5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole has a molecular weight of 1011.97 g/mol, XLogP of 13.08, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 157380297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).