1-methyl-3-(2-methyl-1-benzofuran-3-yl)piperazine

C14H18N2O — CID 116987398

IUPAC1-methyl-3-(2-methyl-1-benzofuran-3-yl)piperazine
SMILESCc1oc2ccccc2c1C1CN(C)CCN1
InChIInChI=1S/C14H18N2O/c1-10-14(12-9-16(2)8-7-15-12)11-5-3-4-6-13(11)17-10/h3-6,12,15H,7-9H2,1-2H3
InChIKeyJREVMJFNBXJWFW-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.32
Rot. Bonds1

About 1-methyl-3-(2-methyl-1-benzofuran-3-yl)piperazine

1-methyl-3-(2-methyl-1-benzofuran-3-yl)piperazine (PubChem CID 116987398) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-methyl-3-(2-methyl-1-benzofuran-3-yl)piperazine.

Molecular Properties

Compound Name1-methyl-3-(2-methyl-1-benzofuran-3-yl)piperazine
PubChem CID116987398
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-methyl-3-(2-methyl-1-benzofuran-3-yl)piperazine
SMILESCc1oc2ccccc2c1C1CN(C)CCN1
InChIInChI=1S/C14H18N2O/c1-10-14(12-9-16(2)8-7-15-12)11-5-3-4-6-13(11)17-10/h3-6,12,15H,7-9H2,1-2H3
InChIKeyJREVMJFNBXJWFW-UHFFFAOYSA-N
XLogP2.32
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-6-(2-methyl-1-benzofuran-3-yl)piperidin-3-amine
CID 82385540
2-(4-methylpiperazin-2-yl)phenol
CID 83445266
1-methyl-3-(2,4,6-trimethylphenyl)piperazine
CID 82114107
1,7-dimethyl-3-(4-methylpiperazin-2-yl)indole
CID 82664533
3-(5-bromofuran-2-yl)-1-methylpiperazine
CID 82664929
3-(2-chloro-6-fluorophenyl)-1-methylpiperazine
CID 82288330
2-(2-methyl-1-benzofuran-3-yl)azepan-1-amine
CID 82385581
1,4-dimethyl-2-(4-methylpiperazin-2-yl)indole
CID 82664535
4-(4-methylpiperazin-2-yl)aniline
CID 66617407
(3R)-1-methyl-3-phenyl-1,4-diazepane
CID 94983002
4-methyl-2-(4-methylpiperazin-2-yl)-6-phenylpyrimidine
CID 116895613
3-(2,4-dimethoxy-3-methylphenyl)-1-methylpiperazine
CID 82297569

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyl-1-benzofuran-3-yl)piperazine?
The IUPAC name of 1-methyl-3-(2-methyl-1-benzofuran-3-yl)piperazine (CID 116987398) is 1-methyl-3-(2-methyl-1-benzofuran-3-yl)piperazine.
What is the SMILES notation for 1-methyl-3-(2-methyl-1-benzofuran-3-yl)piperazine?
The canonical SMILES for 1-methyl-3-(2-methyl-1-benzofuran-3-yl)piperazine is Cc1oc2ccccc2c1C1CN(C)CCN1.
What is the InChIKey of 1-methyl-3-(2-methyl-1-benzofuran-3-yl)piperazine?
The InChIKey is JREVMJFNBXJWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-14(12-9-16(2)8-7-15-12)11-5-3-4-6-13(11)17-10/h3-6,12,15H,7-9H2,1-2H3.
What are the key properties of 1-methyl-3-(2-methyl-1-benzofuran-3-yl)piperazine?
1-methyl-3-(2-methyl-1-benzofuran-3-yl)piperazine has a molecular weight of 230.31 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methyl-1-benzofuran-3-yl)piperazine is sourced from PubChem (CID 116987398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).