1'-benzyl-6-(methoxymethoxy)-7-methylspiro[2H-1-benzofuran-3,4'-piperidine]

C22H27NO3 — CID 66655806

IUPAC1'-benzyl-6-(methoxymethoxy)-7-methylspiro[2H-1-benzofuran-3,4'-piperidine]
SMILESCOCOc1ccc2c(c1C)OCC21CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27NO3/c1-17-20(26-16-24-2)9-8-19-21(17)25-15-22(19)10-12-23(13-11-22)14-18-6-4-3-5-7-18/h3-9H,10-16H2,1-2H3
InChIKeyBNNHVMCPWWZMOK-UHFFFAOYSA-N
MW353.46 g/mol
LogP3.90
Rot. Bonds5

About 1'-benzyl-6-(methoxymethoxy)-7-methylspiro[2H-1-benzofuran-3,4'-piperidine]

1'-benzyl-6-(methoxymethoxy)-7-methylspiro[2H-1-benzofuran-3,4'-piperidine] (PubChem CID 66655806) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1'-benzyl-6-(methoxymethoxy)-7-methylspiro[2H-1-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-6-(methoxymethoxy)-7-methylspiro[2H-1-benzofuran-3,4'-piperidine]
PubChem CID66655806
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name1'-benzyl-6-(methoxymethoxy)-7-methylspiro[2H-1-benzofuran-3,4'-piperidine]
SMILESCOCOc1ccc2c(c1C)OCC21CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H27NO3/c1-17-20(26-16-24-2)9-8-19-21(17)25-15-22(19)10-12-23(13-11-22)14-18-6-4-3-5-7-18/h3-9H,10-16H2,1-2H3
InChIKeyBNNHVMCPWWZMOK-UHFFFAOYSA-N
XLogP3.90
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1'-benzyl-7-bromo-6-(methoxymethoxy)spiro[2H-1-benzofuran-3,4'-piperidine]
CID 66655830
methyl 1'-benzylspiro[2H-1-benzofuran-3,4'-piperidine]-6-carboxylate
CID 139295722
1'-benzyl-6-octoxyspiro[2H-1-benzofuran-3,4'-piperidine]
CID 66656173
1'-benzyl-5-heptoxyspiro[2H-1-benzofuran-3,4'-piperidine]
CID 66655746
1'-benzylspiro[1,3-dihydroisochromene-4,4'-piperidine]
CID 12706476
1-benzyl-4-methoxy-4-phenylpiperidine
CID 170986894
1-benzyl-4-(2-methoxyethyl)piperidin-4-amine
CID 83912968
1-benzyl-3-methoxypyrrolidine-3-carbonitrile
CID 19382157
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
1'-benzyl-6-(trifluoromethyl)spiro[2H-1-benzofuran-3,3'-pyrrolidine]
CID 68557532
1-benzyl-4'-methoxyspiro[piperidine-4,9'-xanthene];hydrochloride
CID 70578492
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-6-(methoxymethoxy)-7-methylspiro[2H-1-benzofuran-3,4'-piperidine]?
The IUPAC name of 1'-benzyl-6-(methoxymethoxy)-7-methylspiro[2H-1-benzofuran-3,4'-piperidine] (CID 66655806) is 1'-benzyl-6-(methoxymethoxy)-7-methylspiro[2H-1-benzofuran-3,4'-piperidine].
What is the SMILES notation for 1'-benzyl-6-(methoxymethoxy)-7-methylspiro[2H-1-benzofuran-3,4'-piperidine]?
The canonical SMILES for 1'-benzyl-6-(methoxymethoxy)-7-methylspiro[2H-1-benzofuran-3,4'-piperidine] is COCOc1ccc2c(c1C)OCC21CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1'-benzyl-6-(methoxymethoxy)-7-methylspiro[2H-1-benzofuran-3,4'-piperidine]?
The InChIKey is BNNHVMCPWWZMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-17-20(26-16-24-2)9-8-19-21(17)25-15-22(19)10-12-23(13-11-22)14-18-6-4-3-5-7-18/h3-9H,10-16H2,1-2H3.
What are the key properties of 1'-benzyl-6-(methoxymethoxy)-7-methylspiro[2H-1-benzofuran-3,4'-piperidine]?
1'-benzyl-6-(methoxymethoxy)-7-methylspiro[2H-1-benzofuran-3,4'-piperidine] has a molecular weight of 353.46 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-6-(methoxymethoxy)-7-methylspiro[2H-1-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 66655806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).