4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline

C20H22N2O — CID 143642595

IUPAC4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline
SMILESCN1CCC2(C=C(c3ccc(N)cc3)c3ccccc3O2)CC1
InChIInChI=1S/C20H22N2O/c1-22-12-10-20(11-13-22)14-18(15-6-8-16(21)9-7-15)17-4-2-3-5-19(17)23-20/h2-9,14H,10-13,21H2,1H3
InChIKeyRXLUWEJCYJJISE-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.56
Rot. Bonds1

About 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline

4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline (PubChem CID 143642595) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline.

Molecular Properties

Compound Name4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline
PubChem CID143642595
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline
SMILESCN1CCC2(C=C(c3ccc(N)cc3)c3ccccc3O2)CC1
InChIInChI=1S/C20H22N2O/c1-22-12-10-20(11-13-22)14-18(15-6-8-16(21)9-7-15)17-4-2-3-5-19(17)23-20/h2-9,14H,10-13,21H2,1H3
InChIKeyRXLUWEJCYJJISE-UHFFFAOYSA-N
XLogP3.56
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-1'-methyl-4-phenylspiro[chromene-2,4'-piperidine]
CID 18770964
(4-methylpiperazin-1-yl)-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)methanimine
CID 143642783
4-spiro[chromene-2,4'-piperidine]-4-ylphenol
CID 25129433
S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine
CID 143029851
lithium 2-[4-(4-fluorophenyl)spiro[chromene-2,4'-piperidine]-1'-yl]acetate
CID 23721679
2-[5-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)tetrazol-2-yl]ethanamine
CID 11955546
tert-butyl 4-(4-cyanophenyl)spiro[chromene-2,4'-piperidine]-1'-carboxylate
CID 59674488
4-[1'-(cyclopropylmethyl)spiro[chromene-2,4'-piperidine]-4-yl]-N,N-diethylbenzamide
CID 59674697
2-[4-[4-[methyl(methylsulfonyl)amino]phenyl]spiro[chromene-2,4'-piperidine]-1'-yl]acetic acid;hydrochloride
CID 69252509
tert-butyl 4-(4-methylsulfinyloxyphenyl)spiro[chromene-2,4'-piperidine]-1'-carboxylate
CID 59565113
methane;[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methanamine;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]acetamide;N-[[3-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)phenyl]methyl]methanesulfonamide;(yttrium)
CID 159182025
but-2-yne;ethane;(2S)-2-methylthiirane;S-(4-spiro[chromene-2,4'-piperidine]-4-ylphenyl)thiohydroxylamine
CID 143642554

Frequently Asked Questions

What is the IUPAC name of 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline?
The IUPAC name of 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline (CID 143642595) is 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline.
What is the SMILES notation for 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline?
The canonical SMILES for 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline is CN1CCC2(C=C(c3ccc(N)cc3)c3ccccc3O2)CC1.
What is the InChIKey of 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline?
The InChIKey is RXLUWEJCYJJISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-22-12-10-20(11-13-22)14-18(15-6-8-16(21)9-7-15)17-4-2-3-5-19(17)23-20/h2-9,14H,10-13,21H2,1H3.
What are the key properties of 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline?
4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline has a molecular weight of 306.41 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1'-methylspiro[chromene-2,4'-piperidine]-4-yl)aniline is sourced from PubChem (CID 143642595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).