1-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-phenylpiperazine

C23H30N2O — CID 162659560

IUPAC1-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-phenylpiperazine
SMILESCC(C)(C)c1ccc2c(c1)CC(CN1CCN(c3ccccc3)CC1)O2
InChIInChI=1S/C23H30N2O/c1-23(2,3)19-9-10-22-18(15-19)16-21(26-22)17-24-11-13-25(14-12-24)20-7-5-4-6-8-20/h4-10,15,21H,11-14,16-17H2,1-3H3
InChIKeyDJJYMRGYBSNEHG-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.11
Rot. Bonds3

About 1-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-phenylpiperazine

1-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-phenylpiperazine (PubChem CID 162659560) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-phenylpiperazine
PubChem CID162659560
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-phenylpiperazine
SMILESCC(C)(C)c1ccc2c(c1)CC(CN1CCN(c3ccccc3)CC1)O2
InChIInChI=1S/C23H30N2O/c1-23(2,3)19-9-10-22-18(15-19)16-21(26-22)17-24-11-13-25(14-12-24)20-7-5-4-6-8-20/h4-10,15,21H,11-14,16-17H2,1-3H3
InChIKeyDJJYMRGYBSNEHG-UHFFFAOYSA-N
XLogP4.11
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-phenylpiperazine (CID 162659560) is 1-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-phenylpiperazine is CC(C)(C)c1ccc2c(c1)CC(CN1CCN(c3ccccc3)CC1)O2.
What is the InChIKey of 1-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-phenylpiperazine?
The InChIKey is DJJYMRGYBSNEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-23(2,3)19-9-10-22-18(15-19)16-21(26-22)17-24-11-13-25(14-12-24)20-7-5-4-6-8-20/h4-10,15,21H,11-14,16-17H2,1-3H3.
What are the key properties of 1-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-phenylpiperazine?
1-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-phenylpiperazine has a molecular weight of 350.51 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 162659560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).