1-[1-[3-(5-fluoro-1H-inden-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazine;1-[3-(4-fluoro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-inden-2-yl]phenyl]piperidin-4-amine

C143H188F5N19O3 — CID 157231388

IUPAC1-[1-[3-(5-fluoro-1H-inden-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazine;1-[3-(4-fluoro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-inden-2-yl]phenyl]piperidin-4-amine
SMILESCC(C)N1CCN(C2CCN(c3cccc(C4=Cc5cc(F)ccc5C4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(C4=Cc5c(F)cccc5C4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(C4=Cc5cc(OC(F)(F)F)ccc5C4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(C4=Cc5cc([N+](=O)[O-])ccc5C4)c3)CC2)CC1.CC1CCN(CCNC2CCN(c3cccc(C4=Cc5ccccc5C4)c3)CC2)CC1
InChIInChI=1S/C30H39F3N4O.C29H39FN4.C29H39N5O2.C28H37N3.C27H34FN3/c1-22(2)36-16-14-35(15-17-36)13-10-34-27-8-11-37(12-9-27)28-5-3-4-23(20-28)25-18-24-6-7-29(21-26(24)19-25)38-30(31,32)33;1-22(2)33-17-15-32(16-18-33)14-11-31-26-9-12-34(13-10-26)27-7-3-5-23(20-27)25-19-24-6-4-8-29(30)28(24)21-25;1-22(2)32-16-14-31(15-17-32)13-10-30-27-8-11-33(12-9-27)28-5-3-4-23(20-28)25-18-24-6-7-29(34(35)36)21-26(24)19-25;1-22-9-14-30(15-10-22)18-13-29-27-11-16-31(17-12-27)28-8-4-7-25(21-28)26-19-23-5-2-3-6-24(23)20-26;1-20(2)29-12-14-31(15-13-29)26-8-10-30(11-9-26)27-5-3-4-21(19-27)23-16-22-6-7-25(28)18-24(22)17-23/h3-7,19-22,27,34H,8-18H2,1-2H3;3-8,20-22,26,31H,9-19H2,1-2H3;3-7,19-22,27,30H,8-18H2,1-2H3;2-8,19,21-22,27,29H,9-18,20H2,1H3;3-7,17-20,26H,8-16H2,1-2H3
InChIKeyAUDKNYPXMLDYNZ-UHFFFAOYSA-N
MW2316.20 g/mol
LogP24.04
Rot. Bonds33

About 1-[1-[3-(5-fluoro-1H-inden-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazine;1-[3-(4-fluoro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-inden-2-yl]phenyl]piperidin-4-amine

1-[1-[3-(5-fluoro-1H-inden-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazine;1-[3-(4-fluoro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-inden-2-yl]phenyl]piperidin-4-amine (PubChem CID 157231388) has the molecular formula C143H188F5N19O3 and a molecular weight of 2316.20 g/mol. Its IUPAC name is 1-[1-[3-(5-fluoro-1H-inden-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazine;1-[3-(4-fluoro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-inden-2-yl]phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[1-[3-(5-fluoro-1H-inden-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazine;1-[3-(4-fluoro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-inden-2-yl]phenyl]piperidin-4-amine
PubChem CID157231388
Molecular FormulaC143H188F5N19O3
Molecular Weight2316.20 g/mol
Exact Mass2314.51
IUPAC Name1-[1-[3-(5-fluoro-1H-inden-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazine;1-[3-(4-fluoro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-inden-2-yl]phenyl]piperidin-4-amine
SMILESCC(C)N1CCN(C2CCN(c3cccc(C4=Cc5cc(F)ccc5C4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(C4=Cc5c(F)cccc5C4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(C4=Cc5cc(OC(F)(F)F)ccc5C4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(C4=Cc5cc([N+](=O)[O-])ccc5C4)c3)CC2)CC1.CC1CCN(CCNC2CCN(c3cccc(C4=Cc5ccccc5C4)c3)CC2)CC1
InChIInChI=1S/C30H39F3N4O.C29H39FN4.C29H39N5O2.C28H37N3.C27H34FN3/c1-22(2)36-16-14-35(15-17-36)13-10-34-27-8-11-37(12-9-27)28-5-3-4-23(20-28)25-18-24-6-7-29(21-26(24)19-25)38-30(31,32)33;1-22(2)33-17-15-32(16-18-33)14-11-31-26-9-12-34(13-10-26)27-7-3-5-23(20-27)25-19-24-6-4-8-29(30)28(24)21-25;1-22(2)32-16-14-31(15-17-32)13-10-30-27-8-11-33(12-9-27)28-5-3-4-23(20-28)25-18-24-6-7-29(34(35)36)21-26(24)19-25;1-22-9-14-30(15-10-22)18-13-29-27-11-16-31(17-12-27)28-8-4-7-25(21-28)26-19-23-5-2-3-6-24(23)20-26;1-20(2)29-12-14-31(15-13-29)26-8-10-30(11-9-26)27-5-3-4-21(19-27)23-16-22-6-7-25(28)18-24(22)17-23/h3-7,19-22,27,34H,8-18H2,1-2H3;3-8,20-22,26,31H,9-19H2,1-2H3;3-7,19-22,27,30H,8-18H2,1-2H3;2-8,19,21-22,27,29H,9-18,20H2,1H3;3-7,17-20,26H,8-16H2,1-2H3
InChIKeyAUDKNYPXMLDYNZ-UHFFFAOYSA-N
XLogP24.04
TPSA145.85 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds33
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002316.20
LogP ≤ 524.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-[1-[3-(5-fluoro-1H-inden-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazine;1-[3-(4-fluoro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-inden-2-yl]phenyl]piperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

methane;2-methyl-3-[4-(4-methylphenyl)piperazin-1-yl]-1-[4-[4-methyl-3-(trifluoromethyl)anilino]piperidin-1-yl]propan-1-one;(2S)-2-methyl-1-[4-[4-nitro-3-(trifluoromethyl)anilino]piperidin-1-yl]-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one;1-[4-[4-methyl-3-(trifluoromethyl)phenoxy]piperidin-1-yl]-3-[4-(4-phenoxyphenyl)piperidin-1-yl]propan-1-one
CID 159318732

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(5-fluoro-1H-inden-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazine;1-[3-(4-fluoro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-inden-2-yl]phenyl]piperidin-4-amine?
The IUPAC name of 1-[1-[3-(5-fluoro-1H-inden-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazine;1-[3-(4-fluoro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-inden-2-yl]phenyl]piperidin-4-amine (CID 157231388) is 1-[1-[3-(5-fluoro-1H-inden-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazine;1-[3-(4-fluoro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-inden-2-yl]phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[1-[3-(5-fluoro-1H-inden-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazine;1-[3-(4-fluoro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-inden-2-yl]phenyl]piperidin-4-amine?
The canonical SMILES for 1-[1-[3-(5-fluoro-1H-inden-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazine;1-[3-(4-fluoro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-inden-2-yl]phenyl]piperidin-4-amine is CC(C)N1CCN(C2CCN(c3cccc(C4=Cc5cc(F)ccc5C4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(C4=Cc5c(F)cccc5C4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(C4=Cc5cc(OC(F)(F)F)ccc5C4)c3)CC2)CC1.CC(C)N1CCN(CCNC2CCN(c3cccc(C4=Cc5cc([N+](=O)[O-])ccc5C4)c3)CC2)CC1.CC1CCN(CCNC2CCN(c3cccc(C4=Cc5ccccc5C4)c3)CC2)CC1.
What is the InChIKey of 1-[1-[3-(5-fluoro-1H-inden-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazine;1-[3-(4-fluoro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-inden-2-yl]phenyl]piperidin-4-amine?
The InChIKey is AUDKNYPXMLDYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39F3N4O.C29H39FN4.C29H39N5O2.C28H37N3.C27H34FN3/c1-22(2)36-16-14-35(15-17-36)13-10-34-27-8-11-37(12-9-27)28-5-3-4-23(20-28)25-18-24-6-7-29(21-26(24)19-25)38-30(31,32)33;1-22(2)33-17-15-32(16-18-33)14-11-31-26-9-12-34(13-10-26)27-7-3-5-23(20-27)25-19-24-6-4-8-29(30)28(24)21-25;1-22(2)32-16-14-31(15-17-32)13-10-30-27-8-11-33(12-9-27)28-5-3-4-23(20-28)25-18-24-6-7-29(34(35)36)21-26(24)19-25;1-22-9-14-30(15-10-22)18-13-29-27-11-16-31(17-12-27)28-8-4-7-25(21-28)26-19-23-5-2-3-6-24(23)20-26;1-20(2)29-12-14-31(15-13-29)26-8-10-30(11-9-26)27-5-3-4-21(19-27)23-16-22-6-7-25(28)18-24(22)17-23/h3-7,19-22,27,34H,8-18H2,1-2H3;3-8,20-22,26,31H,9-19H2,1-2H3;3-7,19-22,27,30H,8-18H2,1-2H3;2-8,19,21-22,27,29H,9-18,20H2,1H3;3-7,17-20,26H,8-16H2,1-2H3.
What are the key properties of 1-[1-[3-(5-fluoro-1H-inden-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazine;1-[3-(4-fluoro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-inden-2-yl]phenyl]piperidin-4-amine?
1-[1-[3-(5-fluoro-1H-inden-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazine;1-[3-(4-fluoro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-inden-2-yl]phenyl]piperidin-4-amine has a molecular weight of 2316.20 g/mol, XLogP of 24.04, 33 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(5-fluoro-1H-inden-2-yl)phenyl]piperidin-4-yl]-4-propan-2-ylpiperazine;1-[3-(4-fluoro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-inden-2-yl)phenyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-amine;1-[3-(5-nitro-1H-inden-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-[5-(trifluoromethoxy)-1H-inden-2-yl]phenyl]piperidin-4-amine is sourced from PubChem (CID 157231388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).