1-(1,4-dimethylpiperazin-2-yl)-N-[(5-iodofuran-2-yl)methyl]methanamine

C12H20IN3O — CID 63897992

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-[(5-iodofuran-2-yl)methyl]methanamine
SMILESCN1CCN(C)C(CNCc2ccc(I)o2)C1
InChIInChI=1S/C12H20IN3O/c1-15-5-6-16(2)10(9-15)7-14-8-11-3-4-12(13)17-11/h3-4,10,14H,5-9H2,1-2H3
InChIKeyFFWYCPZZCSFQOT-UHFFFAOYSA-N
MW349.22 g/mol
LogP1.22
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)-N-[(5-iodofuran-2-yl)methyl]methanamine

1-(1,4-dimethylpiperazin-2-yl)-N-[(5-iodofuran-2-yl)methyl]methanamine (PubChem CID 63897992) has the molecular formula C12H20IN3O and a molecular weight of 349.22 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-[(5-iodofuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-[(5-iodofuran-2-yl)methyl]methanamine
PubChem CID63897992
Molecular FormulaC12H20IN3O
Molecular Weight349.22 g/mol
Exact Mass349.07
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-[(5-iodofuran-2-yl)methyl]methanamine
SMILESCN1CCN(C)C(CNCc2ccc(I)o2)C1
InChIInChI=1S/C12H20IN3O/c1-15-5-6-16(2)10(9-15)7-14-8-11-3-4-12(13)17-11/h3-4,10,14H,5-9H2,1-2H3
InChIKeyFFWYCPZZCSFQOT-UHFFFAOYSA-N
XLogP1.22
TPSA31.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]furan-2-carboxylic acid
CID 63899108
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]furan-2-carbonitrile
CID 113243162
1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 63899142
N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897217
N-[(4-cyclopropylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 79984609
N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897583
1-(1,4-dimethylpiperazin-2-yl)-N-[(4-methylsulfanylphenyl)methyl]methanamine
CID 63898350
1-[(2S)-1,4-dimethylpiperazin-2-yl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 97053955
N-[(3,4-dibromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 115693200
1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 63897056
N-[(2,5-dimethylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63899121
N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897594

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-[(5-iodofuran-2-yl)methyl]methanamine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-[(5-iodofuran-2-yl)methyl]methanamine (CID 63897992) is 1-(1,4-dimethylpiperazin-2-yl)-N-[(5-iodofuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-[(5-iodofuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-[(5-iodofuran-2-yl)methyl]methanamine is CN1CCN(C)C(CNCc2ccc(I)o2)C1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-[(5-iodofuran-2-yl)methyl]methanamine?
The InChIKey is FFWYCPZZCSFQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20IN3O/c1-15-5-6-16(2)10(9-15)7-14-8-11-3-4-12(13)17-11/h3-4,10,14H,5-9H2,1-2H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-[(5-iodofuran-2-yl)methyl]methanamine?
1-(1,4-dimethylpiperazin-2-yl)-N-[(5-iodofuran-2-yl)methyl]methanamine has a molecular weight of 349.22 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-[(5-iodofuran-2-yl)methyl]methanamine is sourced from PubChem (CID 63897992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).