N-benzyl-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-indol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine

C107H128N16O3 — CID 165056075

IUPACN-benzyl-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-indol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCC(C)(C)OC(=O)N1CCCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCOCC3)CC2)c1.c1ccc(CNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)cc1.c1ccc(CNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)nc1
InChIInChI=1S/C31H43N5O2.C26H27N3.C25H32N4O.C25H26N4/c1-31(2,3)38-30(37)36-16-7-15-34(20-21-36)19-14-32-26-12-17-35(18-13-26)27-10-6-9-24(22-27)29-23-25-8-4-5-11-28(25)33-29;1-2-7-20(8-3-1)19-27-23-13-15-29(16-14-23)24-11-6-10-21(17-24)26-18-22-9-4-5-12-25(22)28-26;1-2-7-24-21(4-1)19-25(27-24)20-5-3-6-23(18-20)29-11-8-22(9-12-29)26-10-13-28-14-16-30-17-15-28;1-2-10-24-20(6-1)17-25(28-24)19-7-5-9-23(16-19)29-14-11-21(12-15-29)27-18-22-8-3-4-13-26-22/h4-6,8-11,22-23,26,32-33H,7,12-21H2,1-3H3;1-12,17-18,23,27-28H,13-16,19H2;1-7,18-19,22,26-27H,8-17H2;1-10,13,16-17,21,27-28H,11-12,14-15,18H2
InChIKeyQLBSDLXZPLCYBE-UHFFFAOYSA-N
MW1686.31 g/mol
LogP19.64
Rot. Bonds22

About N-benzyl-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-indol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine

N-benzyl-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-indol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine (PubChem CID 165056075) has the molecular formula C107H128N16O3 and a molecular weight of 1686.31 g/mol. Its IUPAC name is N-benzyl-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-indol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-benzyl-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-indol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine
PubChem CID165056075
Molecular FormulaC107H128N16O3
Molecular Weight1686.31 g/mol
Exact Mass1685.04
IUPAC NameN-benzyl-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-indol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCC(C)(C)OC(=O)N1CCCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCOCC3)CC2)c1.c1ccc(CNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)cc1.c1ccc(CNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)nc1
InChIInChI=1S/C31H43N5O2.C26H27N3.C25H32N4O.C25H26N4/c1-31(2,3)38-30(37)36-16-7-15-34(20-21-36)19-14-32-26-12-17-35(18-13-26)27-10-6-9-24(22-27)29-23-25-8-4-5-11-28(25)33-29;1-2-7-20(8-3-1)19-27-23-13-15-29(16-14-23)24-11-6-10-21(17-24)26-18-22-9-4-5-12-25(22)28-26;1-2-7-24-21(4-1)19-25(27-24)20-5-3-6-23(18-20)29-11-8-22(9-12-29)26-10-13-28-14-16-30-17-15-28;1-2-10-24-20(6-1)17-25(28-24)19-7-5-9-23(16-19)29-14-11-21(12-15-29)27-18-22-8-3-4-13-26-22/h4-6,8-11,22-23,26,32-33H,7,12-21H2,1-3H3;1-12,17-18,23,27-28H,13-16,19H2;1-7,18-19,22,26-27H,8-17H2;1-10,13,16-17,21,27-28H,11-12,14-15,18H2
InChIKeyQLBSDLXZPLCYBE-UHFFFAOYSA-N
XLogP19.64
TPSA182.38 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001686.31
LogP ≤ 519.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Analyze N-benzyl-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-indol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine with MolForge

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Related Compounds

tert-butyl 3-[(E)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]-3-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)prop-2-enyl]indole-1-carboxylate
CID 101878835
tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]piperazine-1-carboxylate;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;1-[3-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine
CID 164994964
[(1S,2S)-1-amino-2-[(3S)-3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]propyl] 2-[[(2S)-2-[(3S)-3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]propyl]amino]-2-oxoacetate
CID 68855557
bis[2-(dimethylamino)-1-[(3S)-3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]-2-oxoethyl] oxalate
CID 87601419
bis[1-[(3S)-3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]-2-(methylamino)-2-oxoethyl] oxalate
CID 87602706
bis[2-(dimethylamino)-1-[3-[2-[4-(1H-indol-5-yl)piperazin-1-yl]ethyl]-2,3-dihydroindol-1-yl]-2-oxoethyl] oxalate
CID 91149481
tert-butyl 4-[3-[2-(morpholin-4-ylmethyl)-1H-pyrrolo[3,2-c]pyridin-4-yl]phenyl]piperazine-1-carboxylate
CID 118152907
N-(3-aminopropyl)-N-[2-[[2-[[6-[3-[2-[[2-[3-aminopropyl-[2-[2-methoxyethyl-[2-(pyridin-3-ylmethylamino)acetyl]amino]acetyl]amino]acetyl]-[2-oxo-2-(2-sulfanylethylamino)ethyl]amino]ethyl]-1H-indol-7-yl]-3-pyridinyl]methyl-[2-oxo-2-(2-sulfanylethylamino)ethyl]amino]-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]-2-[2-[6-[5-[[[2-[2-(1H-indol-3-yl)ethyl-[2-[[2-[2-(1H-indol-3-yl)ethyl-[2-oxo-2-(2-sulfanylethylamino)ethyl]amino]-2-oxoethyl]-(pyridin-3-ylmethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]methyl]-2-pyridinyl]-1H-indol-3-yl]ethylamino]acetamide
CID 130425622
N-benzyl-1-[3-(1H-inden-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-inden-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 157176108
tert-butyl 4-[2-amino-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-azido-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate;carbanide;ethanol;palladium
CID 157218911
lithium;alumane;5-(2-benzyl-4-methylpiperazin-1-yl)-1H-indole;tert-butyl 3-benzyl-4-(1H-indol-5-yl)piperazine-1-carboxylate;hydride
CID 157308060
tert-butyl [3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] carbonate;(8R)-N-[(9-methylpyrido[3,4-b]indol-3-yl)methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;(8R)-N-[[9-(2-morpholin-4-ylethyl)pyrido[3,4-b]indol-3-yl]methyl]-N-pentyl-5,6,7,8-tetrahydroquinolin-8-amine;[3-[[pentyl-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]pyrido[3,4-b]indol-9-yl] morpholine-4-carboxylate
CID 157482952

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-indol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-benzyl-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-indol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine (CID 165056075) is N-benzyl-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-indol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-benzyl-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-indol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-benzyl-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-indol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine is CC(C)(C)OC(=O)N1CCCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.c1cc(-c2cc3ccccc3[nH]2)cc(N2CCC(NCCN3CCOCC3)CC2)c1.c1ccc(CNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)cc1.c1ccc(CNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)nc1.
What is the InChIKey of N-benzyl-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-indol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine?
The InChIKey is QLBSDLXZPLCYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N5O2.C26H27N3.C25H32N4O.C25H26N4/c1-31(2,3)38-30(37)36-16-7-15-34(20-21-36)19-14-32-26-12-17-35(18-13-26)27-10-6-9-24(22-27)29-23-25-8-4-5-11-28(25)33-29;1-2-7-20(8-3-1)19-27-23-13-15-29(16-14-23)24-11-6-10-21(17-24)26-18-22-9-4-5-12-25(22)28-26;1-2-7-24-21(4-1)19-25(27-24)20-5-3-6-23(18-20)29-11-8-22(9-12-29)26-10-13-28-14-16-30-17-15-28;1-2-10-24-20(6-1)17-25(28-24)19-7-5-9-23(16-19)29-14-11-21(12-15-29)27-18-22-8-3-4-13-26-22/h4-6,8-11,22-23,26,32-33H,7,12-21H2,1-3H3;1-12,17-18,23,27-28H,13-16,19H2;1-7,18-19,22,26-27H,8-17H2;1-10,13,16-17,21,27-28H,11-12,14-15,18H2.
What are the key properties of N-benzyl-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-indol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine?
N-benzyl-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-indol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine has a molecular weight of 1686.31 g/mol, XLogP of 19.64, 22 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]-1,4-diazepane-1-carboxylate;1-[3-(1H-indol-2-yl)phenyl]-N-(2-morpholin-4-ylethyl)piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(pyridin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 165056075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).