1-[3-(4-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;(1S,5R)-N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine

C83H108F4N14 — CID 158540256

IUPAC1-[3-(4-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;(1S,5R)-N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine
SMILESCC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5c(F)cccc5[nH]4)c3)CC2)CC1.CN1[C@@H]2CCC[C@H]1CC(NC1CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC1)C2.FC(F)(F)CN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C28H38FN5.C28H36N4.C27H34F3N5/c1-21(2)33-17-15-32(16-18-33)14-11-30-23-9-12-34(13-10-23)24-6-3-5-22(19-24)28-20-25-26(29)7-4-8-27(25)31-28;1-31-24-8-5-9-25(31)19-23(18-24)29-22-12-14-32(15-13-22)26-10-4-7-20(16-26)28-17-21-6-2-3-11-27(21)30-28;28-27(29,30)20-34-16-14-33(15-17-34)13-10-31-23-8-11-35(12-9-23)24-6-3-5-21(18-24)26-19-22-4-1-2-7-25(22)32-26/h3-8,19-21,23,30-31H,9-18H2,1-2H3;2-4,6-7,10-11,16-17,22-25,29-30H,5,8-9,12-15,18-19H2,1H3;1-7,18-19,23,31-32H,8-17,20H2/t;23?,24-,25+;
InChIKeyHOKVZMZQNQHQOE-JKGJQNSCSA-N
MW1377.87 g/mol
LogP14.54
Rot. Bonds18

About 1-[3-(4-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;(1S,5R)-N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine

1-[3-(4-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;(1S,5R)-N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine (PubChem CID 158540256) has the molecular formula C83H108F4N14 and a molecular weight of 1377.87 g/mol. Its IUPAC name is 1-[3-(4-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;(1S,5R)-N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(4-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;(1S,5R)-N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine
PubChem CID158540256
Molecular FormulaC83H108F4N14
Molecular Weight1377.87 g/mol
Exact Mass1376.88
IUPAC Name1-[3-(4-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;(1S,5R)-N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine
SMILESCC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5c(F)cccc5[nH]4)c3)CC2)CC1.CN1[C@@H]2CCC[C@H]1CC(NC1CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC1)C2.FC(F)(F)CN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C28H38FN5.C28H36N4.C27H34F3N5/c1-21(2)33-17-15-32(16-18-33)14-11-30-23-9-12-34(13-10-23)24-6-3-5-22(19-24)28-20-25-26(29)7-4-8-27(25)31-28;1-31-24-8-5-9-25(31)19-23(18-24)29-22-12-14-32(15-13-22)26-10-4-7-20(16-26)28-17-21-6-2-3-11-27(21)30-28;28-27(29,30)20-34-16-14-33(15-17-34)13-10-31-23-8-11-35(12-9-23)24-6-3-5-21(18-24)26-19-22-4-1-2-7-25(22)32-26/h3-8,19-21,23,30-31H,9-18H2,1-2H3;2-4,6-7,10-11,16-17,22-25,29-30H,5,8-9,12-15,18-19H2,1H3;1-7,18-19,23,31-32H,8-17,20H2/t;23?,24-,25+;
InChIKeyHOKVZMZQNQHQOE-JKGJQNSCSA-N
XLogP14.54
TPSA109.38 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001377.87
LogP ≤ 514.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze 1-[3-(4-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;(1S,5R)-N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine with MolForge

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Related Compounds

Upcdc30245
CID 114286471
Strychnofuranine
CID 44559872
5-fluoro-2-[3-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole
CID 140939163
US11247985, Table 3.149
CID 140939125
US11247985, Table 3.4
CID 140939130
US11247985, Table 3.139
CID 140939166
US11247985, Table 3.58
CID 140939081
US11247985, Table 3.36
CID 140939098
US11247985, Table 3.34
CID 140939147
US11247985, Table 3.112
CID 140939164
US11247985, Table 3.60
CID 140939176
US11247985, Table 3.19
CID 140939089

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;(1S,5R)-N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine?
The IUPAC name of 1-[3-(4-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;(1S,5R)-N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine (CID 158540256) is 1-[3-(4-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;(1S,5R)-N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(4-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;(1S,5R)-N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(4-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;(1S,5R)-N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine is CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5c(F)cccc5[nH]4)c3)CC2)CC1.CN1[C@@H]2CCC[C@H]1CC(NC1CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC1)C2.FC(F)(F)CN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.
What is the InChIKey of 1-[3-(4-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;(1S,5R)-N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine?
The InChIKey is HOKVZMZQNQHQOE-JKGJQNSCSA-N. The full InChI is InChI=1S/C28H38FN5.C28H36N4.C27H34F3N5/c1-21(2)33-17-15-32(16-18-33)14-11-30-23-9-12-34(13-10-23)24-6-3-5-22(19-24)28-20-25-26(29)7-4-8-27(25)31-28;1-31-24-8-5-9-25(31)19-23(18-24)29-22-12-14-32(15-13-22)26-10-4-7-20(16-26)28-17-21-6-2-3-11-27(21)30-28;28-27(29,30)20-34-16-14-33(15-17-34)13-10-31-23-8-11-35(12-9-23)24-6-3-5-21(18-24)26-19-22-4-1-2-7-25(22)32-26/h3-8,19-21,23,30-31H,9-18H2,1-2H3;2-4,6-7,10-11,16-17,22-25,29-30H,5,8-9,12-15,18-19H2,1H3;1-7,18-19,23,31-32H,8-17,20H2/t;23?,24-,25+;.
What are the key properties of 1-[3-(4-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;(1S,5R)-N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine?
1-[3-(4-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;(1S,5R)-N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine has a molecular weight of 1377.87 g/mol, XLogP of 14.54, 18 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;(1S,5R)-N-[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine;1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine is sourced from PubChem (CID 158540256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).