1-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine

C17H26N2O — CID 66759731

IUPAC1-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine
SMILESCc1c(C)c(N2CCNCC2)c(C)c2c1OC(C)(C)C2
InChIInChI=1S/C17H26N2O/c1-11-12(2)16-14(10-17(4,5)20-16)13(3)15(11)19-8-6-18-7-9-19/h18H,6-10H2,1-5H3
InChIKeyZDDCKXUKAKOOCV-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.73
Rot. Bonds1

About 1-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine

1-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine (PubChem CID 66759731) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine.

Molecular Properties

Compound Name1-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine
PubChem CID66759731
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine
SMILESCc1c(C)c(N2CCNCC2)c(C)c2c1OC(C)(C)C2
InChIInChI=1S/C17H26N2O/c1-11-12(2)16-14(10-17(4,5)20-16)13(3)15(11)19-8-6-18-7-9-19/h18H,6-10H2,1-5H3
InChIKeyZDDCKXUKAKOOCV-UHFFFAOYSA-N
XLogP2.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-2,2,5,7,8-pentamethyl-3,4-dihydro-1H-quinoline
CID 9794877
Lipid peroxidation inhibitor 1
CID 9863888
5-Amino-2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran
CID 10035862
2,4,6,7-tetramethyl-2-[(4-phenylpiperazin-1-yl)methyl]-3H-1-benzofuran-5-amine
CID 10248292
2-[(benzylamino)methyl]-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 10425530
2,2,4,6-tetramethyl-7-(2-methylpropyl)-3H-1-benzofuran-5-amine
CID 10610515
4-N,4-N,2,2,6,7-hexamethyl-3H-1-benzofuran-4,5-diamine
CID 10633481
2,4,6,7-tetramethyl-2-(morpholin-4-ylmethyl)-3H-1-benzofuran-5-amine
CID 10661194
2-(anilinomethyl)-2,4,6,7-tetramethyl-3H-1-benzofuran-5-amine
CID 10661648
2,2,4,6,7-Pentamethyl-5-phenylamino-2,3-dihydrobenzofuran
CID 10707978
2,2,4,6,7-pentamethyl-3-propan-2-yl-3H-1-benzofuran-5-amine
CID 10729182
2,4,6,7-tetramethyl-2-[(2-phenylethylamino)methyl]-3H-1-benzofuran-5-amine
CID 10758352

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
The IUPAC name of 1-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine (CID 66759731) is 1-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine.
What is the SMILES notation for 1-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
The canonical SMILES for 1-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine is Cc1c(C)c(N2CCNCC2)c(C)c2c1OC(C)(C)C2.
What is the InChIKey of 1-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
The InChIKey is ZDDCKXUKAKOOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11-12(2)16-14(10-17(4,5)20-16)13(3)15(11)19-8-6-18-7-9-19/h18H,6-10H2,1-5H3.
What are the key properties of 1-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine?
1-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine has a molecular weight of 274.41 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)piperazine is sourced from PubChem (CID 66759731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).