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

C21H24N4 — CID 6886669

IUPAC(E)-1-(1-methylpyrrol-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESCn1cccc1/C=N/N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C21H24N4/c1-23-11-5-9-20(23)16-22-25-14-12-24(13-15-25)17-19-8-4-7-18-6-2-3-10-21(18)19/h2-11,16H,12-15,17H2,1H3/b22-16+
InChIKeyFNYLTEJIDZQAOO-CJLVFECKSA-N
MW332.45 g/mol
LogP3.33
Rot. Bonds4

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

(E)-1-(1-methylpyrrol-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (PubChem CID 6886669) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is (E)-1-(1-methylpyrrol-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(1-methylpyrrol-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
PubChem CID6886669
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name(E)-1-(1-methylpyrrol-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
SMILESCn1cccc1/C=N/N1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C21H24N4/c1-23-11-5-9-20(23)16-22-25-14-12-24(13-15-25)17-19-8-4-7-18-6-2-3-10-21(18)19/h2-11,16H,12-15,17H2,1H3/b22-16+
InChIKeyFNYLTEJIDZQAOO-CJLVFECKSA-N
XLogP3.33
TPSA23.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pyrrol(64)', '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-(1-methylpyrrol-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-(1-methylpyrrol-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine (CID 6886669) is (E)-1-(1-methylpyrrol-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(1-methylpyrrol-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-(1-methylpyrrol-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is Cn1cccc1/C=N/N1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of (E)-1-(1-methylpyrrol-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
The InChIKey is FNYLTEJIDZQAOO-CJLVFECKSA-N. The full InChI is InChI=1S/C21H24N4/c1-23-11-5-9-20(23)16-22-25-14-12-24(13-15-25)17-19-8-4-7-18-6-2-3-10-21(18)19/h2-11,16H,12-15,17H2,1H3/b22-16+.
What are the key properties of (E)-1-(1-methylpyrrol-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine?
(E)-1-(1-methylpyrrol-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine has a molecular weight of 332.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1-methylpyrrol-2-yl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine is sourced from PubChem (CID 6886669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).