1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]

C14H17F3N2 — CID 106701715

IUPAC1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]
SMILESCN1CCC2(CC1)CNc1c(C(F)(F)F)cccc12
InChIInChI=1S/C14H17F3N2/c1-19-7-5-13(6-8-19)9-18-12-10(13)3-2-4-11(12)14(15,16)17/h2-4,18H,5-9H2,1H3
InChIKeyIQBKBOOYGAEIAK-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.09
Rot. Bonds

About 1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]

1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine] (PubChem CID 106701715) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine].

Molecular Properties

Compound Name1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]
PubChem CID106701715
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]
SMILESCN1CCC2(CC1)CNc1c(C(F)(F)F)cccc12
InChIInChI=1S/C14H17F3N2/c1-19-7-5-13(6-8-19)9-18-12-10(13)3-2-4-11(12)14(15,16)17/h2-4,18H,5-9H2,1H3
InChIKeyIQBKBOOYGAEIAK-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]?
The IUPAC name of 1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine] (CID 106701715) is 1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine].
What is the SMILES notation for 1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]?
The canonical SMILES for 1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine] is CN1CCC2(CC1)CNc1c(C(F)(F)F)cccc12.
What is the InChIKey of 1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]?
The InChIKey is IQBKBOOYGAEIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2/c1-19-7-5-13(6-8-19)9-18-12-10(13)3-2-4-11(12)14(15,16)17/h2-4,18H,5-9H2,1H3.
What are the key properties of 1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine]?
1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine] has a molecular weight of 270.30 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-7-(trifluoromethyl)spiro[1,2-dihydroindole-3,4'-piperidine] is sourced from PubChem (CID 106701715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).