(E)-1-(9-ethylcarbazol-3-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine

C26H28N4O — CID 5347712

IUPAC(E)-1-(9-ethylcarbazol-3-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine
SMILESCCn1c2ccccc2c2cc(/C=N/N3CCN(c4ccccc4OC)CC3)ccc21
InChIInChI=1S/C26H28N4O/c1-3-30-23-9-5-4-8-21(23)22-18-20(12-13-24(22)30)19-27-29-16-14-28(15-17-29)25-10-6-7-11-26(25)31-2/h4-13,18-19H,3,14-17H2,1-2H3/b27-19+
InChIKeyRLPONQQZNACPCC-ZXVVBBHZSA-N
MW412.54 g/mol
LogP4.98
Rot. Bonds5

About (E)-1-(9-ethylcarbazol-3-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine

(E)-1-(9-ethylcarbazol-3-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine (PubChem CID 5347712) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is (E)-1-(9-ethylcarbazol-3-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(9-ethylcarbazol-3-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine
PubChem CID5347712
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name(E)-1-(9-ethylcarbazol-3-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine
SMILESCCn1c2ccccc2c2cc(/C=N/N3CCN(c4ccccc4OC)CC3)ccc21
InChIInChI=1S/C26H28N4O/c1-3-30-23-9-5-4-8-21(23)22-18-20(12-13-24(22)30)19-27-29-16-14-28(15-17-29)25-10-6-7-11-26(25)31-2/h4-13,18-19H,3,14-17H2,1-2H3/b27-19+
InChIKeyRLPONQQZNACPCC-ZXVVBBHZSA-N
XLogP4.98
TPSA33.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(9-ethylcarbazol-3-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-(9-ethylcarbazol-3-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine (CID 5347712) is (E)-1-(9-ethylcarbazol-3-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(9-ethylcarbazol-3-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-(9-ethylcarbazol-3-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine is CCn1c2ccccc2c2cc(/C=N/N3CCN(c4ccccc4OC)CC3)ccc21.
What is the InChIKey of (E)-1-(9-ethylcarbazol-3-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine?
The InChIKey is RLPONQQZNACPCC-ZXVVBBHZSA-N. The full InChI is InChI=1S/C26H28N4O/c1-3-30-23-9-5-4-8-21(23)22-18-20(12-13-24(22)30)19-27-29-16-14-28(15-17-29)25-10-6-7-11-26(25)31-2/h4-13,18-19H,3,14-17H2,1-2H3/b27-19+.
What are the key properties of (E)-1-(9-ethylcarbazol-3-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine?
(E)-1-(9-ethylcarbazol-3-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine has a molecular weight of 412.54 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(9-ethylcarbazol-3-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine is sourced from PubChem (CID 5347712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).