(E)-1-(2-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine

C24H27N3O — CID 6865962

IUPAC(E)-1-(2-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESCCOc1ccccc1/C=N/N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H27N3O/c1-2-28-24-13-6-4-9-21(24)18-25-27-16-14-26(15-17-27)19-22-11-7-10-20-8-3-5-12-23(20)22/h3-13,18H,2,14-17,19H2,1H3/b25-18+
InChIKeyFCHFOSPBCZFFCY-XIEYBQDHSA-N
MW373.50 g/mol
LogP4.39
Rot. Bonds6

About (E)-1-(2-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine

(E)-1-(2-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (PubChem CID 6865962) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is (E)-1-(2-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(2-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
PubChem CID6865962
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name(E)-1-(2-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESCCOc1ccccc1/C=N/N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C24H27N3O/c1-2-28-24-13-6-4-9-21(24)18-25-27-16-14-26(15-17-27)19-22-11-7-10-20-8-3-5-12-23(20)22/h3-13,18H,2,14-17,19H2,1H3/b25-18+
InChIKeyFCHFOSPBCZFFCY-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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Related Compounds

(4-Benzyl-piperazin-1-yl)-(4-ethoxy-benzylidene)-amine
CID 5342850
(4-Benzyl-piperazin-1-yl)-[3-(2-methoxy-phenyl)-allylidene]-amine
CID 5343016
N-[3-(2-methoxyphenyl)-2-propen-1-ylidene]-4-(1-naphthylmethyl)-1-piperazinamine
CID 6862797
1-Benzyl-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine
CID 2245033
4-(2-Methoxyphenyl)-1-(naphthalen-1-ylmethyl)piperidine
CID 2802698
1-(2-methoxynaphthalen-1-yl)-N-piperidin-1-ylmethanimine
CID 292886
4-Benzyl-N-(2-ethoxybenzylidene)-1-piperazinamine hydrochloride
CID 5342826
(10bR)-1'-methyl-2-naphthalen-1-ylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
CID 7232878
(2E)-1,1-dibenzyl-2-(2-methoxybenzylidene)hydrazine
CID 9690863
N'-(4-Methoxy-benzylidene)-N-methyl-N-naphthalen-1-ylmethyl-hydrazine
CID 9579144
5-(2-Methoxyphenyl)-2-(2-naphthyl)-1,10B-dihydropyrazolo(1,5-C)(1,3)benzoxazine
CID 3131194
2-(Naphthalen-2-YL)-1,10B-dihydrospiro[benzo[E]pyrazolo[1,5-C][1,3]oxazine-5,1'-cyclohexane]
CID 3282346

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-(2-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (CID 6865962) is (E)-1-(2-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(2-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-(2-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is CCOc1ccccc1/C=N/N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of (E)-1-(2-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The InChIKey is FCHFOSPBCZFFCY-XIEYBQDHSA-N. The full InChI is InChI=1S/C24H27N3O/c1-2-28-24-13-6-4-9-21(24)18-25-27-16-14-26(15-17-27)19-22-11-7-10-20-8-3-5-12-23(20)22/h3-13,18H,2,14-17,19H2,1H3/b25-18+.
What are the key properties of (E)-1-(2-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
(E)-1-(2-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-(2-ethoxyphenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is sourced from PubChem (CID 6865962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).