N-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine

C20H21F3N4 — CID 137105325

IUPACN-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
SMILESFC(F)(F)c1cccc2c1N/C(=N\Cc1ccccc1)C1(CCNCC1)N2
InChIInChI=1S/C20H21F3N4/c21-20(22,23)15-7-4-8-16-17(15)26-18(19(27-16)9-11-24-12-10-19)25-13-14-5-2-1-3-6-14/h1-8,24,27H,9-13H2,(H,25,26)
InChIKeyDMNSAGYKQSZHKR-UHFFFAOYSA-N
MW374.41 g/mol
LogP4.26
Rot. Bonds2

About N-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine

N-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine (PubChem CID 137105325) has the molecular formula C20H21F3N4 and a molecular weight of 374.41 g/mol. Its IUPAC name is N-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine.

Molecular Properties

Compound NameN-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
PubChem CID137105325
Molecular FormulaC20H21F3N4
Molecular Weight374.41 g/mol
Exact Mass374.17
IUPAC NameN-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
SMILESFC(F)(F)c1cccc2c1N/C(=N\Cc1ccccc1)C1(CCNCC1)N2
InChIInChI=1S/C20H21F3N4/c21-20(22,23)15-7-4-8-16-17(15)26-18(19(27-16)9-11-24-12-10-19)25-13-14-5-2-1-3-6-14/h1-8,24,27H,9-13H2,(H,25,26)
InChIKeyDMNSAGYKQSZHKR-UHFFFAOYSA-N
XLogP4.26
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The IUPAC name of N-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine (CID 137105325) is N-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine.
What is the SMILES notation for N-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The canonical SMILES for N-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine is FC(F)(F)c1cccc2c1N/C(=N\Cc1ccccc1)C1(CCNCC1)N2.
What is the InChIKey of N-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The InChIKey is DMNSAGYKQSZHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4/c21-20(22,23)15-7-4-8-16-17(15)26-18(19(27-16)9-11-24-12-10-19)25-13-14-5-2-1-3-6-14/h1-8,24,27H,9-13H2,(H,25,26).
What are the key properties of N-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
N-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine has a molecular weight of 374.41 g/mol, XLogP of 4.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine is sourced from PubChem (CID 137105325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).