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

C23H33N3O — CID 77082244

IUPAC1-[[4-(5-methylfuran-2-yl)phenyl]methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
SMILESCc1ccc(-c2ccc(CN3CCN(CC4CCN(C)CC4)CC3)cc2)o1
InChIInChI=1S/C23H33N3O/c1-19-3-8-23(27-19)22-6-4-20(5-7-22)17-25-13-15-26(16-14-25)18-21-9-11-24(2)12-10-21/h3-8,21H,9-18H2,1-2H3
InChIKeySDNMHSWAQMSEAM-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.71
Rot. Bonds5

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

1-[[4-(5-methylfuran-2-yl)phenyl]methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine (PubChem CID 77082244) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-[[4-(5-methylfuran-2-yl)phenyl]methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[[4-(5-methylfuran-2-yl)phenyl]methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
PubChem CID77082244
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name1-[[4-(5-methylfuran-2-yl)phenyl]methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine
SMILESCc1ccc(-c2ccc(CN3CCN(CC4CCN(C)CC4)CC3)cc2)o1
InChIInChI=1S/C23H33N3O/c1-19-3-8-23(27-19)22-6-4-20(5-7-22)17-25-13-15-26(16-14-25)18-21-9-11-24(2)12-10-21/h3-8,21H,9-18H2,1-2H3
InChIKeySDNMHSWAQMSEAM-UHFFFAOYSA-N
XLogP3.71
TPSA22.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(5-methylfuran-2-yl)phenyl]methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The IUPAC name of 1-[[4-(5-methylfuran-2-yl)phenyl]methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine (CID 77082244) is 1-[[4-(5-methylfuran-2-yl)phenyl]methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[[4-(5-methylfuran-2-yl)phenyl]methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The canonical SMILES for 1-[[4-(5-methylfuran-2-yl)phenyl]methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine is Cc1ccc(-c2ccc(CN3CCN(CC4CCN(C)CC4)CC3)cc2)o1.
What is the InChIKey of 1-[[4-(5-methylfuran-2-yl)phenyl]methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
The InChIKey is SDNMHSWAQMSEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-19-3-8-23(27-19)22-6-4-20(5-7-22)17-25-13-15-26(16-14-25)18-21-9-11-24(2)12-10-21/h3-8,21H,9-18H2,1-2H3.
What are the key properties of 1-[[4-(5-methylfuran-2-yl)phenyl]methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine?
1-[[4-(5-methylfuran-2-yl)phenyl]methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine has a molecular weight of 367.54 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(5-methylfuran-2-yl)phenyl]methyl]-4-[(1-methylpiperidin-4-yl)methyl]piperazine is sourced from PubChem (CID 77082244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).