(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(9-ethylcarbazol-3-yl)methanimine

C26H27ClN4 — CID 6873146

IUPAC(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(9-ethylcarbazol-3-yl)methanimine
SMILESCCn1c2ccccc2c2cc(/C=N/N3CCN(Cc4ccc(Cl)cc4)CC3)ccc21
InChIInChI=1S/C26H27ClN4/c1-2-31-25-6-4-3-5-23(25)24-17-21(9-12-26(24)31)18-28-30-15-13-29(14-16-30)19-20-7-10-22(27)11-8-20/h3-12,17-18H,2,13-16,19H2,1H3/b28-18+
InChIKeyUKLUKQFXADFNPT-MTDXEUNCSA-N
MW430.98 g/mol
LogP5.62
Rot. Bonds5

About (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(9-ethylcarbazol-3-yl)methanimine

(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(9-ethylcarbazol-3-yl)methanimine (PubChem CID 6873146) has the molecular formula C26H27ClN4 and a molecular weight of 430.98 g/mol. Its IUPAC name is (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(9-ethylcarbazol-3-yl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(9-ethylcarbazol-3-yl)methanimine
PubChem CID6873146
Molecular FormulaC26H27ClN4
Molecular Weight430.98 g/mol
Exact Mass430.19
IUPAC Name(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(9-ethylcarbazol-3-yl)methanimine
SMILESCCn1c2ccccc2c2cc(/C=N/N3CCN(Cc4ccc(Cl)cc4)CC3)ccc21
InChIInChI=1S/C26H27ClN4/c1-2-31-25-6-4-3-5-23(25)24-17-21(9-12-26(24)31)18-28-30-15-13-29(14-16-30)19-20-7-10-22(27)11-8-20/h3-12,17-18H,2,13-16,19H2,1H3/b28-18+
InChIKeyUKLUKQFXADFNPT-MTDXEUNCSA-N
XLogP5.62
TPSA23.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.98
LogP ≤ 55.62
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

N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-methylphenyl)methanimine
CID 879215
4-[(E)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]benzene-1,2-diol
CID 135492291
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine
CID 6878328
(Z)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3-fluorophenyl)methanimine
CID 5410346
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-fluorophenyl)methanimine
CID 6879393
9-ethyl-3-[(4-phenylpiperazin-1-yl)methyl]carbazole
CID 2058524
4-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-2-ethoxyphenol
CID 1358323
N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine
CID 1361808
(E)-1-(4-chlorophenyl)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanimine
CID 6867526
1-[(E)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]naphthalen-2-ol
CID 135519235
1-(9-ethylcarbazol-3-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 781157
4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide
CID 4508320

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(9-ethylcarbazol-3-yl)methanimine?
The IUPAC name of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(9-ethylcarbazol-3-yl)methanimine (CID 6873146) is (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(9-ethylcarbazol-3-yl)methanimine.
What is the SMILES notation for (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(9-ethylcarbazol-3-yl)methanimine?
The canonical SMILES for (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(9-ethylcarbazol-3-yl)methanimine is CCn1c2ccccc2c2cc(/C=N/N3CCN(Cc4ccc(Cl)cc4)CC3)ccc21.
What is the InChIKey of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(9-ethylcarbazol-3-yl)methanimine?
The InChIKey is UKLUKQFXADFNPT-MTDXEUNCSA-N. The full InChI is InChI=1S/C26H27ClN4/c1-2-31-25-6-4-3-5-23(25)24-17-21(9-12-26(24)31)18-28-30-15-13-29(14-16-30)19-20-7-10-22(27)11-8-20/h3-12,17-18H,2,13-16,19H2,1H3/b28-18+.
What are the key properties of (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(9-ethylcarbazol-3-yl)methanimine?
(E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(9-ethylcarbazol-3-yl)methanimine has a molecular weight of 430.98 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(9-ethylcarbazol-3-yl)methanimine is sourced from PubChem (CID 6873146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).