N-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine

C23H27F3N4 — CID 134329284

IUPACN-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccnc(C(F)(F)F)c4)c(C)c3c2)CC1
InChIInChI=1S/C23H27F3N4/c1-15-19-13-17(16-6-10-30(11-7-16)12-9-27-2)3-4-20(19)29-22(15)18-5-8-28-21(14-18)23(24,25)26/h3-5,8,13-14,16,27,29H,6-7,9-12H2,1-2H3
InChIKeyQGTAQLPBOPEPSQ-UHFFFAOYSA-N
MW416.49 g/mol
LogP4.96
Rot. Bonds5

About N-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine

N-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine (PubChem CID 134329284) has the molecular formula C23H27F3N4 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine
PubChem CID134329284
Molecular FormulaC23H27F3N4
Molecular Weight416.49 g/mol
Exact Mass416.22
IUPAC NameN-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(c2ccc3[nH]c(-c4ccnc(C(F)(F)F)c4)c(C)c3c2)CC1
InChIInChI=1S/C23H27F3N4/c1-15-19-13-17(16-6-10-30(11-7-16)12-9-27-2)3-4-20(19)29-22(15)18-5-8-28-21(14-18)23(24,25)26/h3-5,8,13-14,16,27,29H,6-7,9-12H2,1-2H3
InChIKeyQGTAQLPBOPEPSQ-UHFFFAOYSA-N
XLogP4.96
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine (CID 134329284) is N-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine is CNCCN1CCC(c2ccc3[nH]c(-c4ccnc(C(F)(F)F)c4)c(C)c3c2)CC1.
What is the InChIKey of N-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine?
The InChIKey is QGTAQLPBOPEPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N4/c1-15-19-13-17(16-6-10-30(11-7-16)12-9-27-2)3-4-20(19)29-22(15)18-5-8-28-21(14-18)23(24,25)26/h3-5,8,13-14,16,27,29H,6-7,9-12H2,1-2H3.
What are the key properties of N-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine?
N-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine has a molecular weight of 416.49 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[3-methyl-2-[2-(trifluoromethyl)-4-pyridinyl]-1H-indol-5-yl]piperidin-1-yl]ethanamine is sourced from PubChem (CID 134329284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).