4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-2-ol

C15H18ClF3N2O2 — CID 146648264

IUPAC4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-2-ol
SMILESCOc1ccc(Cl)c2c1N(CC(F)(F)F)C(O)C21CCNCC1
InChIInChI=1S/C15H18ClF3N2O2/c1-23-10-3-2-9(16)11-12(10)21(8-15(17,18)19)13(22)14(11)4-6-20-7-5-14/h2-3,13,20,22H,4-8H2,1H3
InChIKeyOZPXJZVJIROJFN-UHFFFAOYSA-N
MW350.77 g/mol
LogP2.67
Rot. Bonds2

About 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-2-ol

4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-2-ol (PubChem CID 146648264) has the molecular formula C15H18ClF3N2O2 and a molecular weight of 350.77 g/mol. Its IUPAC name is 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-2-ol
PubChem CID146648264
Molecular FormulaC15H18ClF3N2O2
Molecular Weight350.77 g/mol
Exact Mass350.10
IUPAC Name4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-2-ol
SMILESCOc1ccc(Cl)c2c1N(CC(F)(F)F)C(O)C21CCNCC1
InChIInChI=1S/C15H18ClF3N2O2/c1-23-10-3-2-9(16)11-12(10)21(8-15(17,18)19)13(22)14(11)4-6-20-7-5-14/h2-3,13,20,22H,4-8H2,1H3
InChIKeyOZPXJZVJIROJFN-UHFFFAOYSA-N
XLogP2.67
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-2-ol?
The IUPAC name of 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-2-ol (CID 146648264) is 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-2-ol.
What is the SMILES notation for 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-2-ol?
The canonical SMILES for 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-2-ol is COc1ccc(Cl)c2c1N(CC(F)(F)F)C(O)C21CCNCC1.
What is the InChIKey of 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-2-ol?
The InChIKey is OZPXJZVJIROJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O2/c1-23-10-3-2-9(16)11-12(10)21(8-15(17,18)19)13(22)14(11)4-6-20-7-5-14/h2-3,13,20,22H,4-8H2,1H3.
What are the key properties of 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-2-ol?
4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-2-ol has a molecular weight of 350.77 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methoxy-1-(2,2,2-trifluoroethyl)spiro[2H-indole-3,4'-piperidine]-2-ol is sourced from PubChem (CID 146648264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).