N-benzylspiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine

C19H22N4 — CID 136507736

IUPACN-benzylspiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine
SMILESc1ccc(C/N=C2\Nc3ccccc3NC23CCCNC3)cc1
InChIInChI=1S/C19H22N4/c1-2-7-15(8-3-1)13-21-18-19(11-6-12-20-14-19)23-17-10-5-4-9-16(17)22-18/h1-5,7-10,20,23H,6,11-14H2,(H,21,22)
InChIKeyNORMYZNUMOSALA-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.24
Rot. Bonds2

About N-benzylspiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine

N-benzylspiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine (PubChem CID 136507736) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-benzylspiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine.

Molecular Properties

Compound NameN-benzylspiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine
PubChem CID136507736
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC NameN-benzylspiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine
SMILESc1ccc(C/N=C2\Nc3ccccc3NC23CCCNC3)cc1
InChIInChI=1S/C19H22N4/c1-2-7-15(8-3-1)13-21-18-19(11-6-12-20-14-19)23-17-10-5-4-9-16(17)22-18/h1-5,7-10,20,23H,6,11-14H2,(H,21,22)
InChIKeyNORMYZNUMOSALA-UHFFFAOYSA-N
XLogP3.24
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.24
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-benzylspiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine?
The IUPAC name of N-benzylspiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine (CID 136507736) is N-benzylspiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine.
What is the SMILES notation for N-benzylspiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine?
The canonical SMILES for N-benzylspiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine is c1ccc(C/N=C2\Nc3ccccc3NC23CCCNC3)cc1.
What is the InChIKey of N-benzylspiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine?
The InChIKey is NORMYZNUMOSALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-2-7-15(8-3-1)13-21-18-19(11-6-12-20-14-19)23-17-10-5-4-9-16(17)22-18/h1-5,7-10,20,23H,6,11-14H2,(H,21,22).
What are the key properties of N-benzylspiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine?
N-benzylspiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine has a molecular weight of 306.41 g/mol, XLogP of 3.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylspiro[1,4-dihydroquinoxaline-3,3'-piperidine]-2-imine is sourced from PubChem (CID 136507736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).