1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]piperazine

C16H28N4O — CID 155564287

IUPAC1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]piperazine
SMILESCN1CCN(Cc2ccc(CN3CCN(C)CC3)o2)CC1
InChIInChI=1S/C16H28N4O/c1-17-5-9-19(10-6-17)13-15-3-4-16(21-15)14-20-11-7-18(2)8-12-20/h3-4H,5-14H2,1-2H3
InChIKeyRNSIZPCIAIHDOM-UHFFFAOYSA-N
MW292.43 g/mol
LogP0.77
Rot. Bonds4

About 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]piperazine

1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]piperazine (PubChem CID 155564287) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]piperazine
PubChem CID155564287
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]piperazine
SMILESCN1CCN(Cc2ccc(CN3CCN(C)CC3)o2)CC1
InChIInChI=1S/C16H28N4O/c1-17-5-9-19(10-6-17)13-15-3-4-16(21-15)14-20-11-7-18(2)8-12-20/h3-4H,5-14H2,1-2H3
InChIKeyRNSIZPCIAIHDOM-UHFFFAOYSA-N
XLogP0.77
TPSA26.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]piperazine (CID 155564287) is 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]piperazine is CN1CCN(Cc2ccc(CN3CCN(C)CC3)o2)CC1.
What is the InChIKey of 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]piperazine?
The InChIKey is RNSIZPCIAIHDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-17-5-9-19(10-6-17)13-15-3-4-16(21-15)14-20-11-7-18(2)8-12-20/h3-4H,5-14H2,1-2H3.
What are the key properties of 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]piperazine?
1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]piperazine has a molecular weight of 292.43 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[5-[(4-methylpiperazin-1-yl)methyl]furan-2-yl]methyl]piperazine is sourced from PubChem (CID 155564287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).