1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine

C14H20N2O — CID 117203737

IUPAC1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine
SMILESCC1COc2cc(CN3CCNCC3)ccc21
InChIInChI=1S/C14H20N2O/c1-11-10-17-14-8-12(2-3-13(11)14)9-16-6-4-15-5-7-16/h2-3,8,11,15H,4-7,9-10H2,1H3
InChIKeyZACGBYUTSCSPCC-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.59
Rot. Bonds2

About 1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine

1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine (PubChem CID 117203737) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine
PubChem CID117203737
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine
SMILESCC1COc2cc(CN3CCNCC3)ccc21
InChIInChI=1S/C14H20N2O/c1-11-10-17-14-8-12(2-3-13(11)14)9-16-6-4-15-5-7-16/h2-3,8,11,15H,4-7,9-10H2,1H3
InChIKeyZACGBYUTSCSPCC-UHFFFAOYSA-N
XLogP1.59
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-6-(piperazin-1-ylmethyl)-1-propan-2-yl-2,3-dihydroindole
CID 117203743
3-methyl-5-(piperazin-1-ylmethyl)-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 117203387
1-(4H-1,3-benzodioxin-6-ylmethyl)piperazine
CID 57288716
1-[(2-phenyl-1,3-benzodioxol-5-yl)methyl]piperazine
CID 54009487
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406
1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117203229
1-(1,3-benzodioxol-5-ylmethyl)-3-methylpiperazine
CID 64953784
1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine
CID 166799801
3-methyl-2,3-dihydro-1-benzofuran-6-carbonitrile
CID 102491716
[3-(piperazin-1-ylmethyl)phenyl]methanol
CID 23023149
1-[[3-chloro-4-(thian-4-yl)phenyl]methyl]piperazine
CID 117495742

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine?
The IUPAC name of 1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine (CID 117203737) is 1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine.
What is the SMILES notation for 1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine?
The canonical SMILES for 1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine is CC1COc2cc(CN3CCNCC3)ccc21.
What is the InChIKey of 1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine?
The InChIKey is ZACGBYUTSCSPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-11-10-17-14-8-12(2-3-13(11)14)9-16-6-4-15-5-7-16/h2-3,8,11,15H,4-7,9-10H2,1H3.
What are the key properties of 1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine?
1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine has a molecular weight of 232.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine is sourced from PubChem (CID 117203737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).