[4-(4-methylpiperazin-1-yl)-1-benzofuran-5-yl]methanamine

C14H19N3O — CID 82622667

IUPAC[4-(4-methylpiperazin-1-yl)-1-benzofuran-5-yl]methanamine
SMILESCN1CCN(c2c(CN)ccc3occc23)CC1
InChIInChI=1S/C14H19N3O/c1-16-5-7-17(8-6-16)14-11(10-15)2-3-13-12(14)4-9-18-13/h2-4,9H,5-8,10,15H2,1H3
InChIKeyNVANIAGIBRYDLP-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.64
Rot. Bonds2

About [4-(4-methylpiperazin-1-yl)-1-benzofuran-5-yl]methanamine

[4-(4-methylpiperazin-1-yl)-1-benzofuran-5-yl]methanamine (PubChem CID 82622667) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [4-(4-methylpiperazin-1-yl)-1-benzofuran-5-yl]methanamine.

Molecular Properties

Compound Name[4-(4-methylpiperazin-1-yl)-1-benzofuran-5-yl]methanamine
PubChem CID82622667
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[4-(4-methylpiperazin-1-yl)-1-benzofuran-5-yl]methanamine
SMILESCN1CCN(c2c(CN)ccc3occc23)CC1
InChIInChI=1S/C14H19N3O/c1-16-5-7-17(8-6-16)14-11(10-15)2-3-13-12(14)4-9-18-13/h2-4,9H,5-8,10,15H2,1H3
InChIKeyNVANIAGIBRYDLP-UHFFFAOYSA-N
XLogP1.64
TPSA45.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methanamine
CID 62437744
(4-chloro-1-benzofuran-5-yl)methanamine
CID 83817094
[4-methyl-2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 62308620
1-(2,6-diethylphenyl)-4-methylpiperazine
CID 58732893
[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 62945829
[5-(4-methylpiperazin-1-yl)furan-2-yl]methanamine
CID 82505435
2,3-dihydrofuro[2,3-g]indol-1-ylmethanol
CID 67845535
[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]methanamine
CID 43320822
[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 43313684
O-[2-(4-fluoro-1-benzofuran-5-yl)ethyl]hydroxylamine
CID 117285027
N-[[3-(aminomethyl)furan-2-yl]methyl]-N,1-dimethylpiperidin-4-amine
CID 62424649
3-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-5-amine
CID 117174210

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazin-1-yl)-1-benzofuran-5-yl]methanamine?
The IUPAC name of [4-(4-methylpiperazin-1-yl)-1-benzofuran-5-yl]methanamine (CID 82622667) is [4-(4-methylpiperazin-1-yl)-1-benzofuran-5-yl]methanamine.
What is the SMILES notation for [4-(4-methylpiperazin-1-yl)-1-benzofuran-5-yl]methanamine?
The canonical SMILES for [4-(4-methylpiperazin-1-yl)-1-benzofuran-5-yl]methanamine is CN1CCN(c2c(CN)ccc3occc23)CC1.
What is the InChIKey of [4-(4-methylpiperazin-1-yl)-1-benzofuran-5-yl]methanamine?
The InChIKey is NVANIAGIBRYDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16-5-7-17(8-6-16)14-11(10-15)2-3-13-12(14)4-9-18-13/h2-4,9H,5-8,10,15H2,1H3.
What are the key properties of [4-(4-methylpiperazin-1-yl)-1-benzofuran-5-yl]methanamine?
[4-(4-methylpiperazin-1-yl)-1-benzofuran-5-yl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazin-1-yl)-1-benzofuran-5-yl]methanamine is sourced from PubChem (CID 82622667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).