(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-propoxyphenyl)methanimine

C25H29N3O — CID 5347839

IUPAC(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-propoxyphenyl)methanimine
SMILESCCCOc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C25H29N3O/c1-2-18-29-24-12-10-21(11-13-24)19-26-28-16-14-27(15-17-28)20-23-8-5-7-22-6-3-4-9-25(22)23/h3-13,19H,2,14-18,20H2,1H3/b26-19+
InChIKeyPQESZVMKWRVOIM-LGUFXXKBSA-N
MW387.53 g/mol
LogP4.78
Rot. Bonds7

About (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-propoxyphenyl)methanimine

(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-propoxyphenyl)methanimine (PubChem CID 5347839) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-propoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-propoxyphenyl)methanimine
PubChem CID5347839
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-propoxyphenyl)methanimine
SMILESCCCOc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C25H29N3O/c1-2-18-29-24-12-10-21(11-13-24)19-26-28-16-14-27(15-17-28)20-23-8-5-7-22-6-3-4-9-25(22)23/h3-13,19H,2,14-18,20H2,1H3/b26-19+
InChIKeyPQESZVMKWRVOIM-LGUFXXKBSA-N
XLogP4.78
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-propoxyphenyl)methanimine?
The IUPAC name of (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-propoxyphenyl)methanimine (CID 5347839) is (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-propoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-propoxyphenyl)methanimine?
The canonical SMILES for (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-propoxyphenyl)methanimine is CCCOc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-propoxyphenyl)methanimine?
The InChIKey is PQESZVMKWRVOIM-LGUFXXKBSA-N. The full InChI is InChI=1S/C25H29N3O/c1-2-18-29-24-12-10-21(11-13-24)19-26-28-16-14-27(15-17-28)20-23-8-5-7-22-6-3-4-9-25(22)23/h3-13,19H,2,14-18,20H2,1H3/b26-19+.
What are the key properties of (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-propoxyphenyl)methanimine?
(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-propoxyphenyl)methanimine has a molecular weight of 387.53 g/mol, XLogP of 4.78, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(4-propoxyphenyl)methanimine is sourced from PubChem (CID 5347839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).