1'-[(2,4-dimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]

C22H25NO2 — CID 40554527

IUPAC1'-[(2,4-dimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]
SMILESCOc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)c(OC)c1
InChIInChI=1S/C22H25NO2/c1-24-19-8-7-18(21(15-19)25-2)16-23-13-11-22(12-14-23)10-9-17-5-3-4-6-20(17)22/h3-10,15H,11-14,16H2,1-2H3
InChIKeyIGIUZTABRMASDR-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.26
Rot. Bonds4

About 1'-[(2,4-dimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]

1'-[(2,4-dimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine] (PubChem CID 40554527) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1'-[(2,4-dimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine].

Molecular Properties

Compound Name1'-[(2,4-dimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]
PubChem CID40554527
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name1'-[(2,4-dimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]
SMILESCOc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)c(OC)c1
InChIInChI=1S/C22H25NO2/c1-24-19-8-7-18(21(15-19)25-2)16-23-13-11-22(12-14-23)10-9-17-5-3-4-6-20(17)22/h3-10,15H,11-14,16H2,1-2H3
InChIKeyIGIUZTABRMASDR-UHFFFAOYSA-N
XLogP4.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[(2,4,5-trimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]
CID 30979223
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
2-(2-fluoro-4-methoxyphenyl)-5-methyl-4-(spiro[indene-1,4'-piperidine]-1'-ylmethyl)-1,3-oxazole
CID 42455200
2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 791234
[1-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120781034
1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 74246127
(4aS,7aR)-1,4-dibenzyl-6-[(2,4-dimethoxyphenyl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyrazine
CID 156519943
2-[(2,4-dimethoxyphenyl)methyl]-5-methyl-1,3-dihydroisoindole
CID 70790411
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25309995
1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
CID 171151305
1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine
CID 23791064

Frequently Asked Questions

What is the IUPAC name of 1'-[(2,4-dimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]?
The IUPAC name of 1'-[(2,4-dimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine] (CID 40554527) is 1'-[(2,4-dimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine].
What is the SMILES notation for 1'-[(2,4-dimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]?
The canonical SMILES for 1'-[(2,4-dimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine] is COc1ccc(CN2CCC3(C=Cc4ccccc43)CC2)c(OC)c1.
What is the InChIKey of 1'-[(2,4-dimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]?
The InChIKey is IGIUZTABRMASDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-24-19-8-7-18(21(15-19)25-2)16-23-13-11-22(12-14-23)10-9-17-5-3-4-6-20(17)22/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 1'-[(2,4-dimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine]?
1'-[(2,4-dimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine] has a molecular weight of 335.45 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2,4-dimethoxyphenyl)methyl]spiro[indene-1,4'-piperidine] is sourced from PubChem (CID 40554527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).