(4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine

C25H30N4O — CID 143642783

IUPAC(4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine
SMILES[H]/N=C(/c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1)N1CCN(C)CC1
InChIInChI=1S/C25H30N4O/c1-28-14-16-29(17-15-28)24(26)20-8-6-19(7-9-20)22-18-25(10-12-27-13-11-25)30-23-5-3-2-4-21(22)23/h2-9,18,26-27H,10-17H2,1H3/b26-24-
InChIKeyLKTQFAJFNINURY-LCUIJRPUSA-N
MW402.54 g/mol
LogP3.21
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine

(4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine (PubChem CID 143642783) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine
PubChem CID143642783
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name(4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine
SMILES[H]/N=C(/c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1)N1CCN(C)CC1
InChIInChI=1S/C25H30N4O/c1-28-14-16-29(17-15-28)24(26)20-8-6-19(7-9-20)22-18-25(10-12-27-13-11-25)30-23-5-3-2-4-21(22)23/h2-9,18,26-27H,10-17H2,1H3/b26-24-
InChIKeyLKTQFAJFNINURY-LCUIJRPUSA-N
XLogP3.21
TPSA51.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine
CID 143029851
4-spiro[chromene-2,4'-piperidine]-4-ylphenol
CID 25129433
4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline
CID 143642595
N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
CID 143029921
methyl 3-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]propanoate
CID 59674678
2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine
CID 11955546
ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
CID 143304248
N-hydrazinylidene-3-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
CID 143029810
but-2-yne;ethane;(2S)-2-methylthiirane;S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine
CID 143642554
ethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide
CID 143642631
2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide
CID 59674350
4-[4-[2-(8-iodooctyl)tetrazol-5-yl]phenyl]spiro[chromene-2,4'-piperidine]
CID 143642670

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine?
The IUPAC name of (4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine (CID 143642783) is (4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine?
The canonical SMILES for (4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine is [H]/N=C(/c1ccc(C2=CC3(CCNCC3)Oc3ccccc32)cc1)N1CCN(C)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine?
The InChIKey is LKTQFAJFNINURY-LCUIJRPUSA-N. The full InChI is InChI=1S/C25H30N4O/c1-28-14-16-29(17-15-28)24(26)20-8-6-19(7-9-20)22-18-25(10-12-27-13-11-25)30-23-5-3-2-4-21(22)23/h2-9,18,26-27H,10-17H2,1H3/b26-24-.
What are the key properties of (4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine?
(4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine has a molecular weight of 402.54 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine is sourced from PubChem (CID 143642783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).