2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine

C13H18N2O — CID 116856338

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine
SMILESCC1(c2ccc3c(c2)CCO3)CNCCN1
InChIInChI=1S/C13H18N2O/c1-13(9-14-5-6-15-13)11-2-3-12-10(8-11)4-7-16-12/h2-3,8,14-15H,4-7,9H2,1H3
InChIKeyJDPZETLSAHVOKD-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.03
Rot. Bonds1

About 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine

2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine (PubChem CID 116856338) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine
PubChem CID116856338
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine
SMILESCC1(c2ccc3c(c2)CCO3)CNCCN1
InChIInChI=1S/C13H18N2O/c1-13(9-14-5-6-15-13)11-2-3-12-10(8-11)4-7-16-12/h2-3,8,14-15H,4-7,9H2,1H3
InChIKeyJDPZETLSAHVOKD-UHFFFAOYSA-N
XLogP1.03
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)cycloheptan-1-amine
CID 104542199
2-methyl-6-(2-methylpiperazin-2-yl)-1,3-benzoxazole
CID 116856326
1-(2,3-dihydro-1-benzofuran-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 104542080
3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine
CID 116870898
[1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylcyclopropyl]methanamine
CID 83705415
2-methyl-5-(2-methylpiperazin-2-yl)-1,3-benzoxazole
CID 116856332
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116570041
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine
CID 112564401
6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene
CID 82468795
1-(2,3-dihydro-1-benzofuran-5-yl)-3-methylcyclobutan-1-ol
CID 103564717
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methylpiperidin-3-yl)propan-1-one
CID 116569479
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]methanol
CID 105426415

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine (CID 116856338) is 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine is CC1(c2ccc3c(c2)CCO3)CNCCN1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine?
The InChIKey is JDPZETLSAHVOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-13(9-14-5-6-15-13)11-2-3-12-10(8-11)4-7-16-12/h2-3,8,14-15H,4-7,9H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine?
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine has a molecular weight of 218.30 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine is sourced from PubChem (CID 116856338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).