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

C19H21BrN4 — CID 137105248

IUPACN-[(4-bromophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
SMILESBrc1ccc(C/N=C2\Nc3ccccc3NC23CCNCC3)cc1
InChIInChI=1S/C19H21BrN4/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)
InChIKeyHHVOLLYMBNUNDY-UHFFFAOYSA-N
MW385.31 g/mol
LogP4.01
Rot. Bonds2

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

N-[(4-bromophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine (PubChem CID 137105248) has the molecular formula C19H21BrN4 and a molecular weight of 385.31 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
PubChem CID137105248
Molecular FormulaC19H21BrN4
Molecular Weight385.31 g/mol
Exact Mass384.09
IUPAC NameN-[(4-bromophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
SMILESBrc1ccc(C/N=C2\Nc3ccccc3NC23CCNCC3)cc1
InChIInChI=1S/C19H21BrN4/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)
InChIKeyHHVOLLYMBNUNDY-UHFFFAOYSA-N
XLogP4.01
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.31
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxyphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 135891231
7-bromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137104906
N-(thiophen-2-ylmethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137104880
N-[(4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137030790
N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-azepane]-2-imine;ethane
CID 145079494
N-[(3-bromo-4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-imine
CID 137105370
6,7-dibromo-N-[(3-chlorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105442
N-benzyl-8-(trifluoromethyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
CID 137105325
N-methyl-4-[(spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-ylideneamino)methyl]aniline
CID 137104942
N-[[4-(methoxymethyl)phenyl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137104959
N-[(4-tert-butylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-imine
CID 137105507
N-[(3-bromo-4-fluorophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-thiane]-2-imine
CID 137104978

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The IUPAC name of N-[(4-bromophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine (CID 137105248) is N-[(4-bromophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The canonical SMILES for N-[(4-bromophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine is Brc1ccc(C/N=C2\Nc3ccccc3NC23CCNCC3)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The InChIKey is HHVOLLYMBNUNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN4/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-bromophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
N-[(4-bromophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine has a molecular weight of 385.31 g/mol, XLogP of 4.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine is sourced from PubChem (CID 137105248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).