(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine

C17H21N3O2 — CID 5392020

IUPAC(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine
SMILESCOc1ccccc1N1CCN(/N=C\c2ccc(C)o2)CC1
InChIInChI=1S/C17H21N3O2/c1-14-7-8-15(22-14)13-18-20-11-9-19(10-12-20)16-5-3-4-6-17(16)21-2/h3-8,13H,9-12H2,1-2H3/b18-13-
InChIKeyMUTUTOHYENDNAB-AQTBWJFISA-N
MW299.37 g/mol
LogP2.75
Rot. Bonds4

About (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine

(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine (PubChem CID 5392020) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine.

Molecular Properties

Compound Name(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine
PubChem CID5392020
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine
SMILESCOc1ccccc1N1CCN(/N=C\c2ccc(C)o2)CC1
InChIInChI=1S/C17H21N3O2/c1-14-7-8-15(22-14)13-18-20-11-9-19(10-12-20)16-5-3-4-6-17(16)21-2/h3-8,13H,9-12H2,1-2H3/b18-13-
InChIKeyMUTUTOHYENDNAB-AQTBWJFISA-N
XLogP2.75
TPSA41.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine?
The IUPAC name of (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine (CID 5392020) is (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine.
What is the SMILES notation for (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine?
The canonical SMILES for (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine is COc1ccccc1N1CCN(/N=C\c2ccc(C)o2)CC1.
What is the InChIKey of (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine?
The InChIKey is MUTUTOHYENDNAB-AQTBWJFISA-N. The full InChI is InChI=1S/C17H21N3O2/c1-14-7-8-15(22-14)13-18-20-11-9-19(10-12-20)16-5-3-4-6-17(16)21-2/h3-8,13H,9-12H2,1-2H3/b18-13-.
What are the key properties of (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine?
(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine has a molecular weight of 299.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine is sourced from PubChem (CID 5392020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).