5-[[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-1H-indole

C62H72N8O2 — CID 161051427

IUPAC5-[[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-1H-indole
SMILESCOc1ccc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2)cc1OC.Cc1ccc(C2CCN(Cc3ccc4[nH]ccc4c3)CC2)cc1.Cc1ccc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2)cc1
InChIInChI=1S/C21H25N3O2.C21H24N2.C20H23N3/c1-25-20-6-4-18(14-21(20)26-2)24-11-9-23(10-12-24)15-16-3-5-19-17(13-16)7-8-22-19;1-16-2-5-18(6-3-16)19-9-12-23(13-10-19)15-17-4-7-21-20(14-17)8-11-22-21;1-16-2-5-19(6-3-16)23-12-10-22(11-13-23)15-17-4-7-20-18(14-17)8-9-21-20/h3-8,13-14,22H,9-12,15H2,1-2H3;2-8,11,14,19,22H,9-10,12-13,15H2,1H3;2-9,14,21H,10-13,15H2,1H3
InChIKeyUCEPEOZFXQKFSV-UHFFFAOYSA-N
MW961.31 g/mol
LogP12.16
Rot. Bonds11

About 5-[[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-1H-indole

5-[[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-1H-indole (PubChem CID 161051427) has the molecular formula C62H72N8O2 and a molecular weight of 961.31 g/mol. Its IUPAC name is 5-[[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name5-[[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-1H-indole
PubChem CID161051427
Molecular FormulaC62H72N8O2
Molecular Weight961.31 g/mol
Exact Mass960.58
IUPAC Name5-[[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-1H-indole
SMILESCOc1ccc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2)cc1OC.Cc1ccc(C2CCN(Cc3ccc4[nH]ccc4c3)CC2)cc1.Cc1ccc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2)cc1
InChIInChI=1S/C21H25N3O2.C21H24N2.C20H23N3/c1-25-20-6-4-18(14-21(20)26-2)24-11-9-23(10-12-24)15-16-3-5-19-17(13-16)7-8-22-19;1-16-2-5-18(6-3-16)19-9-12-23(13-10-19)15-17-4-7-21-20(14-17)8-11-22-21;1-16-2-5-19(6-3-16)23-12-10-22(11-13-23)15-17-4-7-20-18(14-17)8-9-21-20/h3-8,13-14,22H,9-12,15H2,1-2H3;2-8,11,14,19,22H,9-10,12-13,15H2,1H3;2-9,14,21H,10-13,15H2,1H3
InChIKeyUCEPEOZFXQKFSV-UHFFFAOYSA-N
XLogP12.16
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500961.31
LogP ≤ 512.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 5-[[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-1H-indole with MolForge

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Related Compounds

Ditercalinium Chloride
CID 71541
Ditercalinium
CID 3119
3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-butyl]-1H-indole-5-carbonitrile
CID 11249411
3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
CID 11362047
3-{4-[4-(3,4-Dimethoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole-5-carbonitrile
CID 11166018
(NE)-N-[[3-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-1-yl]butyl]-1H-indol-5-yl]methylidene]hydroxylamine
CID 11442798
3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-piperazin-1-yl]-butyl}-1H-indole
CID 11773729
3-{4-[4-(3,4-Dimethoxy-phenyl)-piperazin-1-yl]-butyl}-5-methoxy-1H-indole
CID 44396440
N-(3,4-dimethoxyphenyl)-3-(1-methylpiperidin-4-yl)-1H-indol-6-amine
CID 53493915
2-[[1-(3,4-Dimethoxyphenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141756427
US11420958, Ex. No. 405
CID 150398098
1,3-DI[[[10-Methoxy-7H-pyrido[4,3-C]carbazol-2-iumyl]-ethyl]-piperidin-4-YL]-propane
CID 2938

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-1H-indole?
The IUPAC name of 5-[[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-1H-indole (CID 161051427) is 5-[[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 5-[[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 5-[[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-1H-indole is COc1ccc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2)cc1OC.Cc1ccc(C2CCN(Cc3ccc4[nH]ccc4c3)CC2)cc1.Cc1ccc(N2CCN(Cc3ccc4[nH]ccc4c3)CC2)cc1.
What is the InChIKey of 5-[[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-1H-indole?
The InChIKey is UCEPEOZFXQKFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2.C21H24N2.C20H23N3/c1-25-20-6-4-18(14-21(20)26-2)24-11-9-23(10-12-24)15-16-3-5-19-17(13-16)7-8-22-19;1-16-2-5-18(6-3-16)19-9-12-23(13-10-19)15-17-4-7-21-20(14-17)8-11-22-21;1-16-2-5-19(6-3-16)23-12-10-22(11-13-23)15-17-4-7-20-18(14-17)8-9-21-20/h3-8,13-14,22H,9-12,15H2,1-2H3;2-8,11,14,19,22H,9-10,12-13,15H2,1H3;2-9,14,21H,10-13,15H2,1H3.
What are the key properties of 5-[[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-1H-indole?
5-[[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-1H-indole has a molecular weight of 961.31 g/mol, XLogP of 12.16, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3,4-dimethoxyphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperazin-1-yl]methyl]-1H-indole;5-[[4-(4-methylphenyl)piperidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 161051427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).