1-benzyl-4-[[5,6-dimethoxy-1-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-yl]methyl]piperidine

C27H37NO3 — CID 143582649

IUPAC1-benzyl-4-[[5,6-dimethoxy-1-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-yl]methyl]piperidine
SMILESCOCCC1c2cc(OC)c(OC)cc2CC1CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H37NO3/c1-29-14-11-24-22(16-23-17-26(30-2)27(31-3)18-25(23)24)15-20-9-12-28(13-10-20)19-21-7-5-4-6-8-21/h4-8,17-18,20,22,24H,9-16,19H2,1-3H3
InChIKeyPEMOUHAPMWFFTL-UHFFFAOYSA-N
MW423.60 g/mol
LogP5.30
Rot. Bonds9

About 1-benzyl-4-[[5,6-dimethoxy-1-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-yl]methyl]piperidine

1-benzyl-4-[[5,6-dimethoxy-1-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-yl]methyl]piperidine (PubChem CID 143582649) has the molecular formula C27H37NO3 and a molecular weight of 423.60 g/mol. Its IUPAC name is 1-benzyl-4-[[5,6-dimethoxy-1-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-yl]methyl]piperidine.

Molecular Properties

Compound Name1-benzyl-4-[[5,6-dimethoxy-1-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-yl]methyl]piperidine
PubChem CID143582649
Molecular FormulaC27H37NO3
Molecular Weight423.60 g/mol
Exact Mass423.28
IUPAC Name1-benzyl-4-[[5,6-dimethoxy-1-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-yl]methyl]piperidine
SMILESCOCCC1c2cc(OC)c(OC)cc2CC1CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H37NO3/c1-29-14-11-24-22(16-23-17-26(30-2)27(31-3)18-25(23)24)15-20-9-12-28(13-10-20)19-21-7-5-4-6-8-21/h4-8,17-18,20,22,24H,9-16,19H2,1-3H3
InChIKeyPEMOUHAPMWFFTL-UHFFFAOYSA-N
XLogP5.30
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.60
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-4-[(6,7-dimethoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]piperidine
CID 143582631
2-[[1-((1,2,3,4,5,6-13C6)cyclohexatrienylmethyl)piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 169439340
(2S)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;hydrochloride
CID 70695523
(2R)-2-[(1-benzylpiperidin-4-yl)methyl]-2-deuterio-5,6-dimethoxy-3H-inden-1-one
CID 140604647
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;bromomethylbenzene
CID 118256682
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;methanol;hydrochloride
CID 89401154
4-benzyl-1-[(3,4-dimethoxyphenyl)methyl]piperidine
CID 765092
1-benzyl-4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine;hydrochloride
CID 14553348
2-[(1-benzylpiperidin-4-yl)methyl]-5-ethoxy-6-methoxy-2,3-dihydroinden-1-one;hydrochloride
CID 68955175
2-[(1-benzylpiperidin-4-yl)methyl]-4,7-dideuterio-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 46240503
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;2,3-dihydroxybutanedioic acid
CID 56947395
2-[(1-benzylpiperidin-4-yl)methyl]-6-methoxy-3-oxo-1,2-dihydroindene-5-carbaldehyde
CID 58830623

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[[5,6-dimethoxy-1-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-yl]methyl]piperidine?
The IUPAC name of 1-benzyl-4-[[5,6-dimethoxy-1-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-yl]methyl]piperidine (CID 143582649) is 1-benzyl-4-[[5,6-dimethoxy-1-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-yl]methyl]piperidine.
What is the SMILES notation for 1-benzyl-4-[[5,6-dimethoxy-1-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-yl]methyl]piperidine?
The canonical SMILES for 1-benzyl-4-[[5,6-dimethoxy-1-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-yl]methyl]piperidine is COCCC1c2cc(OC)c(OC)cc2CC1CC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[[5,6-dimethoxy-1-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-yl]methyl]piperidine?
The InChIKey is PEMOUHAPMWFFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37NO3/c1-29-14-11-24-22(16-23-17-26(30-2)27(31-3)18-25(23)24)15-20-9-12-28(13-10-20)19-21-7-5-4-6-8-21/h4-8,17-18,20,22,24H,9-16,19H2,1-3H3.
What are the key properties of 1-benzyl-4-[[5,6-dimethoxy-1-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-yl]methyl]piperidine?
1-benzyl-4-[[5,6-dimethoxy-1-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-yl]methyl]piperidine has a molecular weight of 423.60 g/mol, XLogP of 5.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[[5,6-dimethoxy-1-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-yl]methyl]piperidine is sourced from PubChem (CID 143582649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).