1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]morpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine

C135H161F15N14O9S — CID 162200015

IUPAC1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]morpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine
SMILESCCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCOCC3)ccc21.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(O)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Oc4cc(C)cc(OC)c4)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCCCC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCSCC3)cc12
InChIInChI=1S/C34H40F3N3O3.C26H32F3N3O2.C26H32F3N3O.C25H30F3N3OS.C24H27F3N2O2/c1-4-25-19-27(43-34(35,36)37)7-8-30(25)32-22-40(13-5-12-38)33-9-6-24(18-31(32)33)21-39-14-10-26(11-15-39)42-29-17-23(2)16-28(20-29)41-3;1-2-19-15-21(34-26(27,28)29)5-6-22(19)24-17-32(11-3-10-30)25-7-4-18(14-23(24)25)16-31-12-8-20(33)9-13-31;1-2-20-16-21(33-26(27,28)29)8-9-22(20)24-18-32(14-6-11-30)25-10-7-19(15-23(24)25)17-31-12-4-3-5-13-31;1-2-19-15-20(32-25(26,27)28)5-6-21(19)23-17-31(9-3-8-29)24-7-4-18(14-22(23)24)16-30-10-12-33-13-11-30;1-2-3-10-29-17-22(19-5-7-20(8-6-19)31-24(25,26)27)21-15-18(4-9-23(21)29)16-28-11-13-30-14-12-28/h6-9,16-20,22,26H,4-5,10-15,21,38H2,1-3H3;4-7,14-15,17,20,33H,2-3,8-13,16,30H2,1H3;7-10,15-16,18H,2-6,11-14,17,30H2,1H3;4-7,14-15,17H,2-3,8-13,16,29H2,1H3;4-9,15,17H,2-3,10-14,16H2,1H3
InChIKeyZRLKWCAAIWFDQB-UHFFFAOYSA-N
MW2440.90 g/mol
LogP30.16
Rot. Bonds42

About 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]morpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine

1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]morpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine (PubChem CID 162200015) has the molecular formula C135H161F15N14O9S and a molecular weight of 2440.90 g/mol. Its IUPAC name is 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]morpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine.

Molecular Properties

Compound Name1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]morpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine
PubChem CID162200015
Molecular FormulaC135H161F15N14O9S
Molecular Weight2440.90 g/mol
Exact Mass2439.21
IUPAC Name1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]morpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine
SMILESCCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCOCC3)ccc21.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(O)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Oc4cc(C)cc(OC)c4)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCCCC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCSCC3)cc12
InChIInChI=1S/C34H40F3N3O3.C26H32F3N3O2.C26H32F3N3O.C25H30F3N3OS.C24H27F3N2O2/c1-4-25-19-27(43-34(35,36)37)7-8-30(25)32-22-40(13-5-12-38)33-9-6-24(18-31(32)33)21-39-14-10-26(11-15-39)42-29-17-23(2)16-28(20-29)41-3;1-2-19-15-21(34-26(27,28)29)5-6-22(19)24-17-32(11-3-10-30)25-7-4-18(14-23(24)25)16-31-12-8-20(33)9-13-31;1-2-20-16-21(33-26(27,28)29)8-9-22(20)24-18-32(14-6-11-30)25-10-7-19(15-23(24)25)17-31-12-4-3-5-13-31;1-2-19-15-20(32-25(26,27)28)5-6-21(19)23-17-31(9-3-8-29)24-7-4-18(14-22(23)24)16-30-10-12-33-13-11-30;1-2-3-10-29-17-22(19-5-7-20(8-6-19)31-24(25,26)27)21-15-18(4-9-23(21)29)16-28-11-13-30-14-12-28/h6-9,16-20,22,26H,4-5,10-15,21,38H2,1-3H3;4-7,14-15,17,20,33H,2-3,8-13,16,30H2,1H3;7-10,15-16,18H,2-6,11-14,17,30H2,1H3;4-7,14-15,17H,2-3,8-13,16,29H2,1H3;4-9,15,17H,2-3,10-14,16H2,1H3
InChIKeyZRLKWCAAIWFDQB-UHFFFAOYSA-N
XLogP30.16
TPSA239.00 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds42
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002440.90
LogP ≤ 530.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]morpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]morpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine?
The IUPAC name of 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]morpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine (CID 162200015) is 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]morpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine.
What is the SMILES notation for 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]morpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine?
The canonical SMILES for 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]morpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine is CCCCn1cc(-c2ccc(OC(F)(F)F)cc2)c2cc(CN3CCOCC3)ccc21.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(O)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCC(Oc4cc(C)cc(OC)c4)CC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCCCC3)cc12.CCc1cc(OC(F)(F)F)ccc1-c1cn(CCCN)c2ccc(CN3CCSCC3)cc12.
What is the InChIKey of 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]morpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine?
The InChIKey is ZRLKWCAAIWFDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40F3N3O3.C26H32F3N3O2.C26H32F3N3O.C25H30F3N3OS.C24H27F3N2O2/c1-4-25-19-27(43-34(35,36)37)7-8-30(25)32-22-40(13-5-12-38)33-9-6-24(18-31(32)33)21-39-14-10-26(11-15-39)42-29-17-23(2)16-28(20-29)41-3;1-2-19-15-21(34-26(27,28)29)5-6-22(19)24-17-32(11-3-10-30)25-7-4-18(14-23(24)25)16-31-12-8-20(33)9-13-31;1-2-20-16-21(33-26(27,28)29)8-9-22(20)24-18-32(14-6-11-30)25-10-7-19(15-23(24)25)17-31-12-4-3-5-13-31;1-2-19-15-20(32-25(26,27)28)5-6-21(19)23-17-31(9-3-8-29)24-7-4-18(14-22(23)24)16-30-10-12-33-13-11-30;1-2-3-10-29-17-22(19-5-7-20(8-6-19)31-24(25,26)27)21-15-18(4-9-23(21)29)16-28-11-13-30-14-12-28/h6-9,16-20,22,26H,4-5,10-15,21,38H2,1-3H3;4-7,14-15,17,20,33H,2-3,8-13,16,30H2,1H3;7-10,15-16,18H,2-6,11-14,17,30H2,1H3;4-7,14-15,17H,2-3,8-13,16,29H2,1H3;4-9,15,17H,2-3,10-14,16H2,1H3.
What are the key properties of 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]morpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine?
1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]morpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine has a molecular weight of 2440.90 g/mol, XLogP of 30.16, 42 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-aminopropyl)-3-[2-ethyl-4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]piperidin-4-ol;4-[[1-butyl-3-[4-(trifluoromethoxy)phenyl]indol-5-yl]methyl]morpholine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-[[4-(3-methoxy-5-methylphenoxy)piperidin-1-yl]methyl]indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(piperidin-1-ylmethyl)indol-1-yl]propan-1-amine;3-[3-[2-ethyl-4-(trifluoromethoxy)phenyl]-5-(thiomorpholin-4-ylmethyl)indol-1-yl]propan-1-amine is sourced from PubChem (CID 162200015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).