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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Related Compounds

(E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
CID 5350855
1-(3,4-dimethoxyphenyl)-N-(4-methylpiperazin-1-yl)methanimine
CID 869996
(Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine
CID 5413985
2-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol
CID 6905673
N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine
CID 1273007
1-(3-cyclopentyloxy-4-methoxyphenyl)-N-piperidin-1-ylmethanimine
CID 54551418
(15S,19S)-17-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 126056305
(E)-1-(5-bromo-2-fluorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
CID 6886630
(Z)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]fluoren-9-imine
CID 5408315
(E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-N-piperidin-1-ylmethanimine
CID 6902534
(E)-1-(3,4-dimethoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]methanimine
CID 6895199
2-methoxy-5-[(E)-morpholin-4-yliminomethyl]phenol
CID 6903171

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).