1-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine

C17H22N2O — CID 2845784

IUPAC1-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine
SMILESCc1ccc(CN2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C17H22N2O/c1-15-7-8-17(20-15)14-19-11-9-18(10-12-19)13-16-5-3-2-4-6-16/h2-8H,9-14H2,1H3
InChIKeyAXDZZZUJZSCPOO-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.91
Rot. Bonds4

About 1-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine

1-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine (PubChem CID 2845784) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine
PubChem CID2845784
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine
SMILESCc1ccc(CN2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C17H22N2O/c1-15-7-8-17(20-15)14-19-11-9-18(10-12-19)13-16-5-3-2-4-6-16/h2-8H,9-14H2,1H3
InChIKeyAXDZZZUJZSCPOO-UHFFFAOYSA-N
XLogP2.91
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine (CID 2845784) is 1-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine is Cc1ccc(CN2CCN(Cc3ccccc3)CC2)o1.
What is the InChIKey of 1-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine?
The InChIKey is AXDZZZUJZSCPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-15-7-8-17(20-15)14-19-11-9-18(10-12-19)13-16-5-3-2-4-6-16/h2-8H,9-14H2,1H3.
What are the key properties of 1-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine?
1-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine has a molecular weight of 270.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(5-methylfuran-2-yl)methyl]piperazine is sourced from PubChem (CID 2845784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).