1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine

C22H28N2O2 — CID 74246127

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(C3Cc4ccccc4C3)CC2)c(OC)c1
InChIInChI=1S/C22H28N2O2/c1-25-21-8-7-19(22(15-21)26-2)16-23-9-11-24(12-10-23)20-13-17-5-3-4-6-18(17)14-20/h3-8,15,20H,9-14,16H2,1-2H3
InChIKeySEZAVPDTLZAFEJ-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.99
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine

1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine (PubChem CID 74246127) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
PubChem CID74246127
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(C3Cc4ccccc4C3)CC2)c(OC)c1
InChIInChI=1S/C22H28N2O2/c1-25-21-8-7-19(22(15-21)26-2)16-23-9-11-24(12-10-23)20-13-17-5-3-4-6-18(17)14-20/h3-8,15,20H,9-14,16H2,1-2H3
InChIKeySEZAVPDTLZAFEJ-UHFFFAOYSA-N
XLogP2.99
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 4999960
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-[(2,4-dimethoxyphenyl)methyl]-4-[(1S,3S)-3-methylcyclohexyl]piperazine
CID 831606
2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 791234
1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine
CID 23791064
1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
CID 171151305
1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 98124868
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyphenol
CID 82959226
(4aS,7aR)-1,4-dibenzyl-6-[(2,4-dimethoxyphenyl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyrazine
CID 156519943
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline
CID 115414065
1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 6456141

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine (CID 74246127) is 1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(C3Cc4ccccc4C3)CC2)c(OC)c1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
The InChIKey is SEZAVPDTLZAFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-25-21-8-7-19(22(15-21)26-2)16-23-9-11-24(12-10-23)20-13-17-5-3-4-6-18(17)14-20/h3-8,15,20H,9-14,16H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine?
1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine has a molecular weight of 352.48 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 74246127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).