tert-butyl 1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate

C19H25F3N2O2 — CID 162727010

IUPACtert-butyl 1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCN(CC(F)(F)F)CC2)c2ccccc21
InChIInChI=1S/C19H25F3N2O2/c1-17(2,3)26-16(25)24-12-18(14-6-4-5-7-15(14)24)8-10-23(11-9-18)13-19(20,21)22/h4-7H,8-13H2,1-3H3
InChIKeyNLGKUEZBOJAGME-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.34
Rot. Bonds1

About tert-butyl 1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate

tert-butyl 1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate (PubChem CID 162727010) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is tert-butyl 1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
PubChem CID162727010
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Nametert-butyl 1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCN(CC(F)(F)F)CC2)c2ccccc21
InChIInChI=1S/C19H25F3N2O2/c1-17(2,3)26-16(25)24-12-18(14-6-4-5-7-15(14)24)8-10-23(11-9-18)13-19(20,21)22/h4-7H,8-13H2,1-3H3
InChIKeyNLGKUEZBOJAGME-UHFFFAOYSA-N
XLogP4.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The IUPAC name of tert-butyl 1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate (CID 162727010) is tert-butyl 1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate.
What is the SMILES notation for tert-butyl 1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The canonical SMILES for tert-butyl 1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate is CC(C)(C)OC(=O)N1CC2(CCN(CC(F)(F)F)CC2)c2ccccc21.
What is the InChIKey of tert-butyl 1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The InChIKey is NLGKUEZBOJAGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-17(2,3)26-16(25)24-12-18(14-6-4-5-7-15(14)24)8-10-23(11-9-18)13-19(20,21)22/h4-7H,8-13H2,1-3H3.
What are the key properties of tert-butyl 1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate?
tert-butyl 1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate has a molecular weight of 370.42 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1'-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate is sourced from PubChem (CID 162727010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).