1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[2H-indole-3,4'-piperidine]

C20H21F3N2 — CID 12801588

IUPAC1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[2H-indole-3,4'-piperidine]
SMILESCN1CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1)c1ccccc12
InChIInChI=1S/C20H21F3N2/c1-24-12-10-19(11-13-24)14-25(18-5-3-2-4-17(18)19)16-8-6-15(7-9-16)20(21,22)23/h2-9H,10-14H2,1H3
InChIKeyPUQCOTHJNNRDAT-UHFFFAOYSA-N
MW346.40 g/mol
LogP4.82
Rot. Bonds1

About 1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[2H-indole-3,4'-piperidine]

1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[2H-indole-3,4'-piperidine] (PubChem CID 12801588) has the molecular formula C20H21F3N2 and a molecular weight of 346.40 g/mol. Its IUPAC name is 1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[2H-indole-3,4'-piperidine]
PubChem CID12801588
Molecular FormulaC20H21F3N2
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[2H-indole-3,4'-piperidine]
SMILESCN1CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1)c1ccccc12
InChIInChI=1S/C20H21F3N2/c1-24-12-10-19(11-13-24)14-25(18-5-3-2-4-17(18)19)16-8-6-15(7-9-16)20(21,22)23/h2-9H,10-14H2,1H3
InChIKeyPUQCOTHJNNRDAT-UHFFFAOYSA-N
XLogP4.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[2H-indole-3,4'-piperidine] (CID 12801588) is 1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[2H-indole-3,4'-piperidine] is CN1CCC2(CC1)CN(c1ccc(C(F)(F)F)cc1)c1ccccc12.
What is the InChIKey of 1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[2H-indole-3,4'-piperidine]?
The InChIKey is PUQCOTHJNNRDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2/c1-24-12-10-19(11-13-24)14-25(18-5-3-2-4-17(18)19)16-8-6-15(7-9-16)20(21,22)23/h2-9H,10-14H2,1H3.
What are the key properties of 1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[2H-indole-3,4'-piperidine]?
1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[2H-indole-3,4'-piperidine] has a molecular weight of 346.40 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-1-[4-(trifluoromethyl)phenyl]spiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 12801588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).