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

C13H18N2O — CID 64932917

IUPAC1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine
SMILESCC1CNCCN1C1COc2ccccc21
InChIInChI=1S/C13H18N2O/c1-10-8-14-6-7-15(10)12-9-16-13-5-3-2-4-11(12)13/h2-5,10,12,14H,6-9H2,1H3
InChIKeyYTTJRGVDCMBBHI-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.41
Rot. Bonds1

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

1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine (PubChem CID 64932917) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine
PubChem CID64932917
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine
SMILESCC1CNCCN1C1COc2ccccc21
InChIInChI=1S/C13H18N2O/c1-10-8-14-6-7-15(10)12-9-16-13-5-3-2-4-11(12)13/h2-5,10,12,14H,6-9H2,1H3
InChIKeyYTTJRGVDCMBBHI-UHFFFAOYSA-N
XLogP1.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylpiperazine
CID 82756095
1-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-5-propylpiperazine
CID 64942036
N-methyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine-2-carboxamide
CID 104524593
1-[(3S)-2,3-dihydro-1-benzofuran-3-yl]pyrrolidine
CID 125478085
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone
CID 124556470
5-tert-butyl-1-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylpiperazine
CID 64941260
2,2-dimethyl-1-(3-methyl-3,4-dihydro-2H-chromen-4-yl)piperazine
CID 104524590
14-oxa-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaene
CID 21258045
3-(2-methylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 62673003
N-methyl-N-(3-methyl-3,4-dihydro-2H-chromen-4-yl)pyrrolidin-3-amine
CID 113422693
(4aR,10bS)-2,3,4,4a,5,10b-hexahydro-1H-chromeno[3,4-c]pyridine;hydrochloride
CID 175798216
1,2,3,4,4a,5-hexahydropyrazino[2,1-c][1,4]benzoxazine
CID 18520561

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine (CID 64932917) is 1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine is CC1CNCCN1C1COc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine?
The InChIKey is YTTJRGVDCMBBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10-8-14-6-7-15(10)12-9-16-13-5-3-2-4-11(12)13/h2-5,10,12,14H,6-9H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine?
1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine has a molecular weight of 218.30 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-3-yl)-2-methylpiperazine is sourced from PubChem (CID 64932917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).