1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine

C27H34F3N5 — CID 140939147

IUPAC1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine
SMILESFC(F)(F)CN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C27H34F3N5/c28-27(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/h1-7,18-19,23,31-32H,8-17,20H2
InChIKeyYXLYPJPJFIDBHM-UHFFFAOYSA-N
MW485.60 g/mol
LogP4.57
Rot. Bonds7

About 1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine

1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine (PubChem CID 140939147) has the molecular formula C27H34F3N5 and a molecular weight of 485.60 g/mol. Its IUPAC name is 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-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine
PubChem CID140939147
Molecular FormulaC27H34F3N5
Molecular Weight485.60 g/mol
Exact Mass485.28
IUPAC Name1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine
SMILESFC(F)(F)CN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C27H34F3N5/c28-27(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/h1-7,18-19,23,31-32H,8-17,20H2
InChIKeyYXLYPJPJFIDBHM-UHFFFAOYSA-N
XLogP4.57
TPSA37.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.60
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 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-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine (CID 140939147) is 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-(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-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine is FC(F)(F)CN1CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.
What is the InChIKey of 1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-amine?
The InChIKey is YXLYPJPJFIDBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F3N5/c28-27(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/h1-7,18-19,23,31-32H,8-17,20H2.
What are the key properties of 1-[3-(1H-indol-2-yl)phenyl]-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]piperidin-4-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 485.60 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 140939147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).