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

C17H26N2O — CID 66364250

IUPAC2-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
SMILESCC(C)(C)C1CNCCN1CC1Cc2ccccc2O1
InChIInChI=1S/C17H26N2O/c1-17(2,3)16-11-18-8-9-19(16)12-14-10-13-6-4-5-7-15(13)20-14/h4-7,14,16,18H,8-12H2,1-3H3
InChIKeyANXCTFNDSGGEOT-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.31
Rot. Bonds2

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

2-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine (PubChem CID 66364250) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine.

Molecular Properties

Compound Name2-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
PubChem CID66364250
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
SMILESCC(C)(C)C1CNCCN1CC1Cc2ccccc2O1
InChIInChI=1S/C17H26N2O/c1-17(2,3)16-11-18-8-9-19(16)12-14-10-13-6-4-5-7-15(13)20-14/h4-7,14,16,18H,8-12H2,1-3H3
InChIKeyANXCTFNDSGGEOT-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

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

3-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 64952160
5-cyclopropyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylpiperazine
CID 64947751
7-methyl-1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,4-diazepane
CID 66392360
1-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338733
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-one
CID 55052644
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylazetidin-3-ol
CID 66363634
2,3-dihydro-1-benzofuran-2-ylmethyl(dimethyl)azanium chloride
CID 44658129
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-ethyl-2-methylpiperidin-4-amine
CID 62234271
2-(chloromethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylmorpholine
CID 81209600
2-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-2-yl]ethanamine
CID 66365373
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine-1-sulfonamide
CID 61252197
1-(2-bromoethyl)-4-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine
CID 80675136

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine?
The IUPAC name of 2-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine (CID 66364250) is 2-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine.
What is the SMILES notation for 2-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine?
The canonical SMILES for 2-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine is CC(C)(C)C1CNCCN1CC1Cc2ccccc2O1.
What is the InChIKey of 2-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine?
The InChIKey is ANXCTFNDSGGEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,3)16-11-18-8-9-19(16)12-14-10-13-6-4-5-7-15(13)20-14/h4-7,14,16,18H,8-12H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine?
2-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 2-tert-butyl-1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperazine is sourced from PubChem (CID 66364250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).