4-[4-[1-(methylideneamino)ethenyl]phenyl]spiro[chromene-2,4'-piperidine]-5-ol

C22H22N2O2 — CID 143642463

IUPAC4-[4-[1-(methylideneamino)ethenyl]phenyl]spiro[chromene-2,4'-piperidine]-5-ol
SMILESC=NC(=C)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1
InChIInChI=1S/C22H22N2O2/c1-15(23-2)16-6-8-17(9-7-16)18-14-22(10-12-24-13-11-22)26-20-5-3-4-19(25)21(18)20/h3-9,14,24-25H,1-2,10-13H2
InChIKeyYHOHJUNLKKNONL-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.01
Rot. Bonds3

About 4-[4-[1-(methylideneamino)ethenyl]phenyl]spiro[chromene-2,4'-piperidine]-5-ol

4-[4-[1-(methylideneamino)ethenyl]phenyl]spiro[chromene-2,4'-piperidine]-5-ol (PubChem CID 143642463) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[4-[1-(methylideneamino)ethenyl]phenyl]spiro[chromene-2,4'-piperidine]-5-ol.

Molecular Properties

Compound Name4-[4-[1-(methylideneamino)ethenyl]phenyl]spiro[chromene-2,4'-piperidine]-5-ol
PubChem CID143642463
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name4-[4-[1-(methylideneamino)ethenyl]phenyl]spiro[chromene-2,4'-piperidine]-5-ol
SMILESC=NC(=C)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1
InChIInChI=1S/C22H22N2O2/c1-15(23-2)16-6-8-17(9-7-16)18-14-22(10-12-24-13-11-22)26-20-5-3-4-19(25)21(18)20/h3-9,14,24-25H,1-2,10-13H2
InChIKeyYHOHJUNLKKNONL-UHFFFAOYSA-N
XLogP4.01
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-(5-methylspiro[chromene-2,4'-piperidine]-4-yl)benzamide
CID 11234697
4-spiro[chromene-2,4'-piperidine]-4-ylphenol
CID 25129433
ethane;4-(5-methoxyspiro[chromene-2,4'-piperidine]-4-yl)benzenecarboximidamide
CID 143642631
N,N'-diamino-4-spiro[chromene-2,4'-piperidine]-4-ylbenzenecarboximidamide
CID 143029921
S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine
CID 143029851
N,N-diethyl-4-[5-(methoxymethoxy)spiro[chromene-2,3'-pyrrolidine]-4-yl]benzamide
CID 66696321
1-spiro[chromene-2,4'-piperidine]-4-ylethenamine
CID 143543689
(4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine
CID 143642783
ethane;4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
CID 143304248
N,N-diethyl-4-(5-hydroxyspiro[chromene-2,4'-piperidine]-4-yl)benzenesulfonamide;methane;5-methoxy-4-[4-(1-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2-methyltetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine];5-methoxy-4-[4-(2H-tetrazol-5-yl)phenyl]spiro[chromene-2,4'-piperidine]
CID 157142454
2-methyl-N-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)propanamide
CID 59674350
3-spiro[chromene-2,4'-piperidine]-4-ylbenzonitrile
CID 59674314

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(methylideneamino)ethenyl]phenyl]spiro[chromene-2,4'-piperidine]-5-ol?
The IUPAC name of 4-[4-[1-(methylideneamino)ethenyl]phenyl]spiro[chromene-2,4'-piperidine]-5-ol (CID 143642463) is 4-[4-[1-(methylideneamino)ethenyl]phenyl]spiro[chromene-2,4'-piperidine]-5-ol.
What is the SMILES notation for 4-[4-[1-(methylideneamino)ethenyl]phenyl]spiro[chromene-2,4'-piperidine]-5-ol?
The canonical SMILES for 4-[4-[1-(methylideneamino)ethenyl]phenyl]spiro[chromene-2,4'-piperidine]-5-ol is C=NC(=C)c1ccc(C2=CC3(CCNCC3)Oc3cccc(O)c32)cc1.
What is the InChIKey of 4-[4-[1-(methylideneamino)ethenyl]phenyl]spiro[chromene-2,4'-piperidine]-5-ol?
The InChIKey is YHOHJUNLKKNONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-15(23-2)16-6-8-17(9-7-16)18-14-22(10-12-24-13-11-22)26-20-5-3-4-19(25)21(18)20/h3-9,14,24-25H,1-2,10-13H2.
What are the key properties of 4-[4-[1-(methylideneamino)ethenyl]phenyl]spiro[chromene-2,4'-piperidine]-5-ol?
4-[4-[1-(methylideneamino)ethenyl]phenyl]spiro[chromene-2,4'-piperidine]-5-ol has a molecular weight of 346.43 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(methylideneamino)ethenyl]phenyl]spiro[chromene-2,4'-piperidine]-5-ol is sourced from PubChem (CID 143642463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).