1-(3,4-dimethoxyphenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine

C26H27N3O2 — CID 1388051

IUPAC1-(3,4-dimethoxyphenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
SMILESCOc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1OC
InChIInChI=1S/C26H27N3O2/c1-30-24-12-11-19(17-25(24)31-2)18-27-29-15-13-28(14-16-29)26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-12,17-18,26H,13-16H2,1-2H3
InChIKeyIYDBMPBYOUDBSS-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.43
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine

1-(3,4-dimethoxyphenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine (PubChem CID 1388051) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
PubChem CID1388051
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
SMILESCOc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1OC
InChIInChI=1S/C26H27N3O2/c1-30-24-12-11-19(17-25(24)31-2)18-27-29-15-13-28(14-16-29)26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-12,17-18,26H,13-16H2,1-2H3
InChIKeyIYDBMPBYOUDBSS-UHFFFAOYSA-N
XLogP4.43
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.43
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 1-(3,4-dimethoxyphenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine (CID 1388051) is 1-(3,4-dimethoxyphenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine is COc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine?
The InChIKey is IYDBMPBYOUDBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-30-24-12-11-19(17-25(24)31-2)18-27-29-15-13-28(14-16-29)26-22-9-5-3-7-20(22)21-8-4-6-10-23(21)26/h3-12,17-18,26H,13-16H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine?
1-(3,4-dimethoxyphenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine has a molecular weight of 413.52 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine is sourced from PubChem (CID 1388051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).