(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine

C27H29N3O3 — CID 6868113

IUPAC(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1OC
InChIInChI=1S/C27H29N3O3/c1-31-24-16-19(17-25(32-2)27(24)33-3)18-28-30-14-12-29(13-15-30)26-22-10-6-4-8-20(22)21-9-5-7-11-23(21)26/h4-11,16-18,26H,12-15H2,1-3H3/b28-18+
InChIKeyPWBFJEQCGAJBMN-MTDXEUNCSA-N
MW443.55 g/mol
LogP4.43
Rot. Bonds6

About (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine

(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine (PubChem CID 6868113) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine
PubChem CID6868113
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine
SMILESCOc1cc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1OC
InChIInChI=1S/C27H29N3O3/c1-31-24-16-19(17-25(32-2)27(24)33-3)18-28-30-14-12-29(13-15-30)26-22-10-6-4-8-20(22)21-9-5-7-11-23(21)26/h4-11,16-18,26H,12-15H2,1-3H3/b28-18+
InChIKeyPWBFJEQCGAJBMN-MTDXEUNCSA-N
XLogP4.43
TPSA46.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine?
The IUPAC name of (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine (CID 6868113) is (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine?
The canonical SMILES for (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine is COc1cc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc(OC)c1OC.
What is the InChIKey of (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine?
The InChIKey is PWBFJEQCGAJBMN-MTDXEUNCSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-31-24-16-19(17-25(32-2)27(24)33-3)18-28-30-14-12-29(13-15-30)26-22-10-6-4-8-20(22)21-9-5-7-11-23(21)26/h4-11,16-18,26H,12-15H2,1-3H3/b28-18+.
What are the key properties of (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine?
(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine has a molecular weight of 443.55 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)methanimine is sourced from PubChem (CID 6868113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).