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

C24H27N3O — CID 5343478

IUPAC(E)-1-(4-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESCCOc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C24H27N3O/c1-2-28-23-12-10-20(11-13-23)18-25-27-16-14-26(15-17-27)19-22-8-5-7-21-6-3-4-9-24(21)22/h3-13,18H,2,14-17,19H2,1H3/b25-18+
InChIKeyDNEDJZAWCFNVLY-XIEYBQDHSA-N
MW373.50 g/mol
LogP4.39
Rot. Bonds6

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

(E)-1-(4-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (PubChem CID 5343478) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is (E)-1-(4-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(4-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
PubChem CID5343478
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name(E)-1-(4-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESCCOc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1
InChIInChI=1S/C24H27N3O/c1-2-28-23-12-10-20(11-13-23)18-25-27-16-14-26(15-17-27)19-22-8-5-7-21-6-3-4-9-24(21)22/h3-13,18H,2,14-17,19H2,1H3/b25-18+
InChIKeyDNEDJZAWCFNVLY-XIEYBQDHSA-N
XLogP4.39
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.39
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)-1-(4-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-(4-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (CID 5343478) is (E)-1-(4-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(4-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-(4-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is CCOc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1.
What is the InChIKey of (E)-1-(4-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The InChIKey is DNEDJZAWCFNVLY-XIEYBQDHSA-N. The full InChI is InChI=1S/C24H27N3O/c1-2-28-23-12-10-20(11-13-23)18-25-27-16-14-26(15-17-27)19-22-8-5-7-21-6-3-4-9-24(21)22/h3-13,18H,2,14-17,19H2,1H3/b25-18+.
What are the key properties of (E)-1-(4-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
(E)-1-(4-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine has a molecular weight of 373.50 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is sourced from PubChem (CID 5343478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).