N-[(4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine

C19H21FN4 — CID 135891233

IUPACN-[(4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
SMILESFc1ccc(C/N=C2\Nc3ccccc3NC23CCNCC3)cc1
InChIInChI=1S/C19H21FN4/c20-15-7-5-14(6-8-15)13-22-18-19(9-11-21-12-10-19)24-17-4-2-1-3-16(17)23-18/h1-8,21,24H,9-13H2,(H,22,23)
InChIKeyRWFIDHLHJQGQAC-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.38
Rot. Bonds2

About N-[(4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine

N-[(4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine (PubChem CID 135891233) has the molecular formula C19H21FN4 and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
PubChem CID135891233
Molecular FormulaC19H21FN4
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC NameN-[(4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
SMILESFc1ccc(C/N=C2\Nc3ccccc3NC23CCNCC3)cc1
InChIInChI=1S/C19H21FN4/c20-15-7-5-14(6-8-15)13-22-18-19(9-11-21-12-10-19)24-17-4-2-1-3-16(17)23-18/h1-8,21,24H,9-13H2,(H,22,23)
InChIKeyRWFIDHLHJQGQAC-UHFFFAOYSA-N
XLogP3.38
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.38
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-[(4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The IUPAC name of N-[(4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine (CID 135891233) is N-[(4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine is Fc1ccc(C/N=C2\Nc3ccccc3NC23CCNCC3)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The InChIKey is RWFIDHLHJQGQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4/c20-15-7-5-14(6-8-15)13-22-18-19(9-11-21-12-10-19)24-17-4-2-1-3-16(17)23-18/h1-8,21,24H,9-13H2,(H,22,23).
What are the key properties of N-[(4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
N-[(4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine has a molecular weight of 324.40 g/mol, XLogP of 3.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine is sourced from PubChem (CID 135891233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).