5-(2-benzylpiperazin-1-yl)-1H-indole;2-benzylpiperidine;5-bromo-1H-indole;(5-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl 3-benzyl-4-[1-[tert-butyl(dimethyl)silyl]indol-5-yl]piperazine-1-carboxylate;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate

C107H136Br2N12O4Si2 — CID 158809701

IUPAC5-(2-benzylpiperazin-1-yl)-1H-indole;2-benzylpiperidine;5-bromo-1H-indole;(5-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl 3-benzyl-4-[1-[tert-butyl(dimethyl)silyl]indol-5-yl]piperazine-1-carboxylate;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate
SMILESBrc1ccc2[nH]ccc2c1.CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]ccc3c2)C(Cc2ccccc2)C1.CC(C)(C)OC(=O)N1CCN(c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)C(Cc2ccccc2)C1.CC(C)(C)[Si](C)(C)n1ccc2cc(Br)ccc21.c1ccc(CC2CCCCN2)cc1.c1ccc(CC2CNCCN2c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C30H43N3O2Si.C24H29N3O2.C19H21N3.C14H20BrNSi.C12H17N.C8H6BrN/c1-29(2,3)35-28(34)31-18-19-32(26(22-31)20-23-12-10-9-11-13-23)25-14-15-27-24(21-25)16-17-33(27)36(7,8)30(4,5)6;1-24(2,3)29-23(28)26-13-14-27(20-9-10-22-19(16-20)11-12-25-22)21(17-26)15-18-7-5-4-6-8-18;1-2-4-15(5-3-1)12-18-14-20-10-11-22(18)17-6-7-19-16(13-17)8-9-21-19;1-14(2,3)17(4,5)16-9-8-11-10-12(15)6-7-13(11)16;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;9-7-1-2-8-6(5-7)3-4-10-8/h9-17,21,26H,18-20,22H2,1-8H3;4-12,16,21,25H,13-15,17H2,1-3H3;1-9,13,18,20-21H,10-12,14H2;6-10H,1-5H3;1-3,6-7,12-13H,4-5,8-10H2;1-5,10H
InChIKeyIUNDRWVDGSJNDU-UHFFFAOYSA-N
MW1870.32 g/mol
LogP25.75
Rot. Bonds13

About 5-(2-benzylpiperazin-1-yl)-1H-indole;2-benzylpiperidine;5-bromo-1H-indole;(5-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl 3-benzyl-4-[1-[tert-butyl(dimethyl)silyl]indol-5-yl]piperazine-1-carboxylate;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate

5-(2-benzylpiperazin-1-yl)-1H-indole;2-benzylpiperidine;5-bromo-1H-indole;(5-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl 3-benzyl-4-[1-[tert-butyl(dimethyl)silyl]indol-5-yl]piperazine-1-carboxylate;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate (PubChem CID 158809701) has the molecular formula C107H136Br2N12O4Si2 and a molecular weight of 1870.32 g/mol. Its IUPAC name is 5-(2-benzylpiperazin-1-yl)-1H-indole;2-benzylpiperidine;5-bromo-1H-indole;(5-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl 3-benzyl-4-[1-[tert-butyl(dimethyl)silyl]indol-5-yl]piperazine-1-carboxylate;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Name5-(2-benzylpiperazin-1-yl)-1H-indole;2-benzylpiperidine;5-bromo-1H-indole;(5-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl 3-benzyl-4-[1-[tert-butyl(dimethyl)silyl]indol-5-yl]piperazine-1-carboxylate;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate
PubChem CID158809701
Molecular FormulaC107H136Br2N12O4Si2
Molecular Weight1870.32 g/mol
Exact Mass1866.87
IUPAC Name5-(2-benzylpiperazin-1-yl)-1H-indole;2-benzylpiperidine;5-bromo-1H-indole;(5-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl 3-benzyl-4-[1-[tert-butyl(dimethyl)silyl]indol-5-yl]piperazine-1-carboxylate;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate
SMILESBrc1ccc2[nH]ccc2c1.CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]ccc3c2)C(Cc2ccccc2)C1.CC(C)(C)OC(=O)N1CCN(c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)C(Cc2ccccc2)C1.CC(C)(C)[Si](C)(C)n1ccc2cc(Br)ccc21.c1ccc(CC2CCCCN2)cc1.c1ccc(CC2CNCCN2c2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C30H43N3O2Si.C24H29N3O2.C19H21N3.C14H20BrNSi.C12H17N.C8H6BrN/c1-29(2,3)35-28(34)31-18-19-32(26(22-31)20-23-12-10-9-11-13-23)25-14-15-27-24(21-25)16-17-33(27)36(7,8)30(4,5)6;1-24(2,3)29-23(28)26-13-14-27(20-9-10-22-19(16-20)11-12-25-22)21(17-26)15-18-7-5-4-6-8-18;1-2-4-15(5-3-1)12-18-14-20-10-11-22(18)17-6-7-19-16(13-17)8-9-21-19;1-14(2,3)17(4,5)16-9-8-11-10-12(15)6-7-13(11)16;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;9-7-1-2-8-6(5-7)3-4-10-8/h9-17,21,26H,18-20,22H2,1-8H3;4-12,16,21,25H,13-15,17H2,1-3H3;1-9,13,18,20-21H,10-12,14H2;6-10H,1-5H3;1-3,6-7,12-13H,4-5,8-10H2;1-5,10H
InChIKeyIUNDRWVDGSJNDU-UHFFFAOYSA-N
XLogP25.75
TPSA150.09 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001870.32
LogP ≤ 525.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 5-(2-benzylpiperazin-1-yl)-1H-indole;2-benzylpiperidine;5-bromo-1H-indole;(5-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl 3-benzyl-4-[1-[tert-butyl(dimethyl)silyl]indol-5-yl]piperazine-1-carboxylate;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate 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

5-bromo-1H-indole;(5-bromoindol-1-yl)-tri(propan-2-yl)silane;tert-butyl (3S)-3-methyl-4-[1-tri(propan-2-yl)silylindol-5-yl]piperazine-1-carboxylate;5-[(2S)-2-methylpiperazin-1-yl]-1H-indole
CID 157648213
(5-bromoindol-1-yl)-tri(propan-2-yl)silane;tert-butyl 4-(1H-indol-5-yl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate
CID 157717605
5-bromo-1H-indole;5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;[5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]-tri(propan-2-yl)silane;[5-bromo-3-(1-methylpiperidin-4-yl)indol-1-yl]-tri(propan-2-yl)silane;1-methylpiperidin-4-one
CID 158004359
tert-butyl 4-(3-bromo-2-pyridinyl)piperidine-1-carboxylate;bis(tert-butyl 4-[3-(2,3-dihydroindol-1-yl)-2-pyridinyl]piperidine-1-carboxylate);2,3-dihydro-1H-indole;1-(2-piperidin-4-yl-3-pyridinyl)-2,3-dihydroindole;hydrochloride
CID 158907938
(Z)-benzylidene-[1-(5-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-hydroxyazanium;tert-butyl N-[2-amino-2-(5-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-amino-2-(6-bromo-1H-indol-3-yl)ethyl]carbamate;tert-butyl N-[2-(5-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(6-bromo-1H-indol-3-yl)-2-(hydroxyamino)ethyl]carbamate;tert-butyl N-[2-(hydroxyamino)-2-(1H-indol-3-yl)ethyl]carbamate
CID 161222650
dicesium;5-bromo-1H-indole;tert-butyl 5-bromoindole-1-carboxylate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydride;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-yl-1H-indole;1-methylpiperidin-4-one;oxido formate;pyrrolidine;5-pyrrolidin-1-yl-1H-indole
CID 161932101

Frequently Asked Questions

What is the IUPAC name of 5-(2-benzylpiperazin-1-yl)-1H-indole;2-benzylpiperidine;5-bromo-1H-indole;(5-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl 3-benzyl-4-[1-[tert-butyl(dimethyl)silyl]indol-5-yl]piperazine-1-carboxylate;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate?
The IUPAC name of 5-(2-benzylpiperazin-1-yl)-1H-indole;2-benzylpiperidine;5-bromo-1H-indole;(5-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl 3-benzyl-4-[1-[tert-butyl(dimethyl)silyl]indol-5-yl]piperazine-1-carboxylate;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate (CID 158809701) is 5-(2-benzylpiperazin-1-yl)-1H-indole;2-benzylpiperidine;5-bromo-1H-indole;(5-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl 3-benzyl-4-[1-[tert-butyl(dimethyl)silyl]indol-5-yl]piperazine-1-carboxylate;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate.
What is the SMILES notation for 5-(2-benzylpiperazin-1-yl)-1H-indole;2-benzylpiperidine;5-bromo-1H-indole;(5-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl 3-benzyl-4-[1-[tert-butyl(dimethyl)silyl]indol-5-yl]piperazine-1-carboxylate;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate?
The canonical SMILES for 5-(2-benzylpiperazin-1-yl)-1H-indole;2-benzylpiperidine;5-bromo-1H-indole;(5-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl 3-benzyl-4-[1-[tert-butyl(dimethyl)silyl]indol-5-yl]piperazine-1-carboxylate;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate is Brc1ccc2[nH]ccc2c1.CC(C)(C)OC(=O)N1CCN(c2ccc3[nH]ccc3c2)C(Cc2ccccc2)C1.CC(C)(C)OC(=O)N1CCN(c2ccc3c(ccn3[Si](C)(C)C(C)(C)C)c2)C(Cc2ccccc2)C1.CC(C)(C)[Si](C)(C)n1ccc2cc(Br)ccc21.c1ccc(CC2CCCCN2)cc1.c1ccc(CC2CNCCN2c2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 5-(2-benzylpiperazin-1-yl)-1H-indole;2-benzylpiperidine;5-bromo-1H-indole;(5-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl 3-benzyl-4-[1-[tert-butyl(dimethyl)silyl]indol-5-yl]piperazine-1-carboxylate;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate?
The InChIKey is IUNDRWVDGSJNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N3O2Si.C24H29N3O2.C19H21N3.C14H20BrNSi.C12H17N.C8H6BrN/c1-29(2,3)35-28(34)31-18-19-32(26(22-31)20-23-12-10-9-11-13-23)25-14-15-27-24(21-25)16-17-33(27)36(7,8)30(4,5)6;1-24(2,3)29-23(28)26-13-14-27(20-9-10-22-19(16-20)11-12-25-22)21(17-26)15-18-7-5-4-6-8-18;1-2-4-15(5-3-1)12-18-14-20-10-11-22(18)17-6-7-19-16(13-17)8-9-21-19;1-14(2,3)17(4,5)16-9-8-11-10-12(15)6-7-13(11)16;1-2-6-11(7-3-1)10-12-8-4-5-9-13-12;9-7-1-2-8-6(5-7)3-4-10-8/h9-17,21,26H,18-20,22H2,1-8H3;4-12,16,21,25H,13-15,17H2,1-3H3;1-9,13,18,20-21H,10-12,14H2;6-10H,1-5H3;1-3,6-7,12-13H,4-5,8-10H2;1-5,10H.
What are the key properties of 5-(2-benzylpiperazin-1-yl)-1H-indole;2-benzylpiperidine;5-bromo-1H-indole;(5-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl 3-benzyl-4-[1-[tert-butyl(dimethyl)silyl]indol-5-yl]piperazine-1-carboxylate;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate?
5-(2-benzylpiperazin-1-yl)-1H-indole;2-benzylpiperidine;5-bromo-1H-indole;(5-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl 3-benzyl-4-[1-[tert-butyl(dimethyl)silyl]indol-5-yl]piperazine-1-carboxylate;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate has a molecular weight of 1870.32 g/mol, XLogP of 25.75, 13 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzylpiperazin-1-yl)-1H-indole;2-benzylpiperidine;5-bromo-1H-indole;(5-bromoindol-1-yl)-tert-butyl-dimethylsilane;tert-butyl 3-benzyl-4-[1-[tert-butyl(dimethyl)silyl]indol-5-yl]piperazine-1-carboxylate;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate is sourced from PubChem (CID 158809701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).