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

C20H24N4 — CID 135735914

IUPACN-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
SMILESCc1ccccc1C/N=C1\Nc2ccccc2NC12CCNCC2
InChIInChI=1S/C20H24N4/c1-15-6-2-3-7-16(15)14-22-19-20(10-12-21-13-11-20)24-18-9-5-4-8-17(18)23-19/h2-9,21,24H,10-14H2,1H3,(H,22,23)
InChIKeyMJJOJTVHORCBHJ-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.55
Rot. Bonds2

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

N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine (PubChem CID 135735914) has the molecular formula C20H24N4 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
PubChem CID135735914
Molecular FormulaC20H24N4
Molecular Weight320.44 g/mol
Exact Mass320.20
IUPAC NameN-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine
SMILESCc1ccccc1C/N=C1\Nc2ccccc2NC12CCNCC2
InChIInChI=1S/C20H24N4/c1-15-6-2-3-7-16(15)14-22-19-20(10-12-21-13-11-20)24-18-9-5-4-8-17(18)23-19/h2-9,21,24H,10-14H2,1H3,(H,22,23)
InChIKeyMJJOJTVHORCBHJ-UHFFFAOYSA-N
XLogP3.55
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.55
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-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The IUPAC name of N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine (CID 135735914) is N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The canonical SMILES for N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine is Cc1ccccc1C/N=C1\Nc2ccccc2NC12CCNCC2.
What is the InChIKey of N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
The InChIKey is MJJOJTVHORCBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4/c1-15-6-2-3-7-16(15)14-22-19-20(10-12-21-13-11-20)24-18-9-5-4-8-17(18)23-19/h2-9,21,24H,10-14H2,1H3,(H,22,23).
What are the key properties of N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine?
N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine has a molecular weight of 320.44 g/mol, XLogP of 3.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-imine is sourced from PubChem (CID 135735914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).