[1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine

C16H23N3O — CID 80505273

IUPAC[1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
SMILESCC(c1cc2ccccc2o1)N1CCN(C)CC1CN
InChIInChI=1S/C16H23N3O/c1-12(19-8-7-18(2)11-14(19)10-17)16-9-13-5-3-4-6-15(13)20-16/h3-6,9,12,14H,7-8,10-11,17H2,1-2H3
InChIKeyGMVXXFZJDZZTFB-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.07
Rot. Bonds3

About [1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine

[1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine (PubChem CID 80505273) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
PubChem CID80505273
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
SMILESCC(c1cc2ccccc2o1)N1CCN(C)CC1CN
InChIInChI=1S/C16H23N3O/c1-12(19-8-7-18(2)11-14(19)10-17)16-9-13-5-3-4-6-15(13)20-16/h3-6,9,12,14H,7-8,10-11,17H2,1-2H3
InChIKeyGMVXXFZJDZZTFB-UHFFFAOYSA-N
XLogP2.07
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[1-(5-bromofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 113437671
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(1-benzofuran-2-yl)methanone
CID 80504331
[1-(1-benzofuran-2-yl)-2-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105260307
1-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-2-yl]ethanamine
CID 63254702
[4-methyl-1-(2-methyl-1-phenylpropyl)piperazin-2-yl]methanamine
CID 80504272
[1-[1-(2,4-dimethylphenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504410
[1-[1-(2,5-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504678
[1-[1-(2,4-dichlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 80504427
1-benzofuran-2-yl-(1,4-dimethyl-1,4-diazepan-2-yl)methanamine
CID 114730606
[1-[1-(4-bromo-2-chlorophenyl)ethyl]-4-methylpiperazin-2-yl]methanamine
CID 82778837
2-[1-[1-(1-benzofuran-2-yl)ethyl]piperidin-4-yl]acetic acid
CID 79609925
N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine
CID 54950067

Frequently Asked Questions

What is the IUPAC name of [1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine?
The IUPAC name of [1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine (CID 80505273) is [1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine.
What is the SMILES notation for [1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine?
The canonical SMILES for [1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine is CC(c1cc2ccccc2o1)N1CCN(C)CC1CN.
What is the InChIKey of [1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine?
The InChIKey is GMVXXFZJDZZTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(19-8-7-18(2)11-14(19)10-17)16-9-13-5-3-4-6-15(13)20-16/h3-6,9,12,14H,7-8,10-11,17H2,1-2H3.
What are the key properties of [1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine?
[1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(1-benzofuran-2-yl)ethyl]-4-methylpiperazin-2-yl]methanamine is sourced from PubChem (CID 80505273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).