3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine

C17H26N2O — CID 64952160

IUPAC3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
SMILESCC(C)(C)C1CN(CC2Cc3ccccc3O2)CCN1
InChIInChI=1S/C17H26N2O/c1-17(2,3)16-12-19(9-8-18-16)11-14-10-13-6-4-5-7-15(13)20-14/h4-7,14,16,18H,8-12H2,1-3H3
InChIKeyIAKMPUKPJUPPBF-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.31
Rot. Bonds2

About 3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine

3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine (PubChem CID 64952160) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine.

Molecular Properties

Compound Name3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
PubChem CID64952160
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
SMILESCC(C)(C)C1CN(CC2Cc3ccccc3O2)CCN1
InChIInChI=1S/C17H26N2O/c1-17(2,3)16-12-19(9-8-18-16)11-14-10-13-6-4-5-7-15(13)20-14/h4-7,14,16,18H,8-12H2,1-3H3
InChIKeyIAKMPUKPJUPPBF-UHFFFAOYSA-N
XLogP2.31
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine?
The IUPAC name of 3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine (CID 64952160) is 3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine.
What is the SMILES notation for 3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine?
The canonical SMILES for 3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine is CC(C)(C)C1CN(CC2Cc3ccccc3O2)CCN1.
What is the InChIKey of 3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine?
The InChIKey is IAKMPUKPJUPPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,3)16-12-19(9-8-18-16)11-14-10-13-6-4-5-7-15(13)20-14/h4-7,14,16,18H,8-12H2,1-3H3.
What are the key properties of 3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine?
3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine has a molecular weight of 274.41 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine is sourced from PubChem (CID 64952160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).