N-(1-phenylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine

C21H25N3 — CID 159248930

IUPACN-(1-phenylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
SMILESCC(/N=C1\Nc2ccccc2CC12CCNCC2)c1ccccc1
InChIInChI=1S/C21H25N3/c1-16(17-7-3-2-4-8-17)23-20-21(11-13-22-14-12-21)15-18-9-5-6-10-19(18)24-20/h2-10,16,22H,11-15H2,1H3,(H,23,24)
InChIKeyKVAQIDCQPPNWEM-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.18
Rot. Bonds2

About N-(1-phenylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine

N-(1-phenylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine (PubChem CID 159248930) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(1-phenylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine.

Molecular Properties

Compound NameN-(1-phenylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
PubChem CID159248930
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC NameN-(1-phenylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
SMILESCC(/N=C1\Nc2ccccc2CC12CCNCC2)c1ccccc1
InChIInChI=1S/C21H25N3/c1-16(17-7-3-2-4-8-17)23-20-21(11-13-22-14-12-21)15-18-9-5-6-10-19(18)24-20/h2-10,16,22H,11-15H2,1H3,(H,23,24)
InChIKeyKVAQIDCQPPNWEM-UHFFFAOYSA-N
XLogP4.18
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine
CID 149419062
N-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine
CID 153198108
N-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
CID 146922887
N-(1-phenylcyclopropyl)spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 148568027
1'-propan-2-ylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-one
CID 176678107
ethane;spiro[1,3-dihydroindene-2,4'-piperidine]
CID 168950333
spiro[bicyclo[4.2.0]octa-1,3,5-triene-7,3'-pyrrolidine]
CID 45073937
4-[(spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzonitrile
CID 159775333
N-[(2-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
CID 148619189
4-phenyl-N-(1-phenylethyl)-1,3-dihydro-1,5-benzodiazepin-2-imine
CID 137314288
propane;spiro[1,2-dihydroindene-3,4'-piperidine]
CID 91126362
N-[(2,3-dichlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 160811986

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine?
The IUPAC name of N-(1-phenylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine (CID 159248930) is N-(1-phenylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine.
What is the SMILES notation for N-(1-phenylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine?
The canonical SMILES for N-(1-phenylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine is CC(/N=C1\Nc2ccccc2CC12CCNCC2)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine?
The InChIKey is KVAQIDCQPPNWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-16(17-7-3-2-4-8-17)23-20-21(11-13-22-14-12-21)15-18-9-5-6-10-19(18)24-20/h2-10,16,22H,11-15H2,1H3,(H,23,24).
What are the key properties of N-(1-phenylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine?
N-(1-phenylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine has a molecular weight of 319.45 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)spiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine is sourced from PubChem (CID 159248930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).