N-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine

C21H22F3N3 — CID 146922887

IUPACN-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
SMILESFC(F)(F)c1ccc(C/N=C2\Nc3ccccc3CC23CCNCC3)cc1
InChIInChI=1S/C21H22F3N3/c22-21(23,24)17-7-5-15(6-8-17)14-26-19-20(9-11-25-12-10-20)13-16-3-1-2-4-18(16)27-19/h1-8,25H,9-14H2,(H,26,27)
InChIKeyADNKHQXJWQWSIJ-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.64
Rot. Bonds2

About N-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine

N-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine (PubChem CID 146922887) has the molecular formula C21H22F3N3 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine.

Molecular Properties

Compound NameN-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
PubChem CID146922887
Molecular FormulaC21H22F3N3
Molecular Weight373.42 g/mol
Exact Mass373.18
IUPAC NameN-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
SMILESFC(F)(F)c1ccc(C/N=C2\Nc3ccccc3CC23CCNCC3)cc1
InChIInChI=1S/C21H22F3N3/c22-21(23,24)17-7-5-15(6-8-17)14-26-19-20(9-11-25-12-10-20)13-16-3-1-2-4-18(16)27-19/h1-8,25H,9-14H2,(H,26,27)
InChIKeyADNKHQXJWQWSIJ-UHFFFAOYSA-N
XLogP4.64
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine?
The IUPAC name of N-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine (CID 146922887) is N-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine.
What is the SMILES notation for N-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine?
The canonical SMILES for N-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine is FC(F)(F)c1ccc(C/N=C2\Nc3ccccc3CC23CCNCC3)cc1.
What is the InChIKey of N-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine?
The InChIKey is ADNKHQXJWQWSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3/c22-21(23,24)17-7-5-15(6-8-17)14-26-19-20(9-11-25-12-10-20)13-16-3-1-2-4-18(16)27-19/h1-8,25H,9-14H2,(H,26,27).
What are the key properties of N-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine?
N-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine has a molecular weight of 373.42 g/mol, XLogP of 4.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine is sourced from PubChem (CID 146922887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).