1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine

C21H33NO2 — CID 135031863

IUPAC1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine
SMILESCCC1(C)CCC(C)C(C)(CC)N1OCC1COc2ccccc21
InChIInChI=1S/C21H33NO2/c1-6-20(4)13-12-16(3)21(5,7-2)22(20)24-15-17-14-23-19-11-9-8-10-18(17)19/h8-11,16-17H,6-7,12-15H2,1-5H3
InChIKeyYYYQUPQRAMOLON-UHFFFAOYSA-N
MW331.50 g/mol
LogP5.16
Rot. Bonds5

About 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine

1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine (PubChem CID 135031863) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine
PubChem CID135031863
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine
SMILESCCC1(C)CCC(C)C(C)(CC)N1OCC1COc2ccccc21
InChIInChI=1S/C21H33NO2/c1-6-20(4)13-12-16(3)21(5,7-2)22(20)24-15-17-14-23-19-11-9-8-10-18(17)19/h8-11,16-17H,6-7,12-15H2,1-5H3
InChIKeyYYYQUPQRAMOLON-UHFFFAOYSA-N
XLogP5.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Isopropylphenyl 4-(1-piperidinyl)butyl ether
CID 1825301
1-(2,3-Dihydrobenzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidine
CID 12709388
4-[4-[2-(4-Ethoxy-2-fluorophenyl)ethyl]-2-fluorophenyl]-1-methoxy-2,2,6,6-tetramethylpiperidine
CID 134486575
4-[3-Fluoro-4-[(4-propylcyclohexyl)methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 134488814
4-[3-fluoro-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]phenyl]-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 134489455
1-[2-[(3-methyl-2H-1-benzofuran-3-yl)methyl]prop-2-enyl]piperidine
CID 12982688
4-(2,3-Dihydro-1-benzofuran-3-yl)-2-(2,2,6,6-tetramethylpiperidin-1-yl)oxybutanenitrile
CID 102100110
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethyl-4-prop-2-ynoxypiperidine
CID 135031861
[1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 4-methylbenzenesulfonate
CID 135031862
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-4-methoxy-2,2,6,6-tetramethylpiperidine
CID 135031864
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-one
CID 135031865
1-(2,3-Dihydro-1-benzofuran-3-ylmethoxy)-2,2,6,6-tetramethylpiperidin-4-ol
CID 135031867

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine (CID 135031863) is 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine is CCC1(C)CCC(C)C(C)(CC)N1OCC1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine?
The InChIKey is YYYQUPQRAMOLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2/c1-6-20(4)13-12-16(3)21(5,7-2)22(20)24-15-17-14-23-19-11-9-8-10-18(17)19/h8-11,16-17H,6-7,12-15H2,1-5H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine?
1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine has a molecular weight of 331.50 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-2,6-diethyl-2,3,6-trimethylpiperidine is sourced from PubChem (CID 135031863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).