1-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperazine

C18H26N2O2 — CID 117487364

IUPAC1-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperazine
SMILESCc1c2c(c(CN3CCNCC3)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C18H26N2O2/c1-11-8-14-13(3)17-15(9-12(2)21-17)16(18(14)22-11)10-20-6-4-19-5-7-20/h11-12,19H,4-10H2,1-3H3
InChIKeyDPXIWHHXWFXQEF-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.05
Rot. Bonds2

About 1-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperazine

1-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperazine (PubChem CID 117487364) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperazine
PubChem CID117487364
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperazine
SMILESCc1c2c(c(CN3CCNCC3)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C18H26N2O2/c1-11-8-14-13(3)17-15(9-12(2)21-17)16(18(14)22-11)10-20-6-4-19-5-7-20/h11-12,19H,4-10H2,1-3H3
InChIKeyDPXIWHHXWFXQEF-UHFFFAOYSA-N
XLogP2.05
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperazine 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

4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine
CID 117485706
2-(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)acetaldehyde
CID 115010510
1-[(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperazine
CID 117478246
1-(7-methoxy-2,4,6-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine
CID 66759462
1-[(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperazine
CID 117420850
1-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperazine
CID 117368565
1-[(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperazine
CID 117454647
3,4-dimethyl-5-(2-piperazin-1-ylethyl)-1,2-oxazole
CID 84780855
1-[(2,4-dimethyl-1H-pyrrol-3-yl)methyl]piperazine
CID 82656870
1-[(2-bromo-3,6-dimethylphenyl)methyl]piperazine
CID 84812650
1-[(3-methyloxiran-2-yl)methyl]piperazine
CID 57304312
1-[(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]piperazine
CID 117478248

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperazine?
The IUPAC name of 1-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperazine (CID 117487364) is 1-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperazine is Cc1c2c(c(CN3CCNCC3)c3c1OC(C)C3)OC(C)C2.
What is the InChIKey of 1-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperazine?
The InChIKey is DPXIWHHXWFXQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-11-8-14-13(3)17-15(9-12(2)21-17)16(18(14)22-11)10-20-6-4-19-5-7-20/h11-12,19H,4-10H2,1-3H3.
What are the key properties of 1-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperazine?
1-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperazine has a molecular weight of 302.42 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperazine is sourced from PubChem (CID 117487364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).