(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)ethanimine

C23H23N3O — CID 5351034

IUPAC(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)ethanimine
SMILESC/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccco1
InChIInChI=1S/C23H23N3O/c1-17(22-11-6-16-27-22)24-26-14-12-25(13-15-26)23-20-9-4-2-7-18(20)19-8-3-5-10-21(19)23/h2-11,16,23H,12-15H2,1H3/b24-17+
InChIKeyHWSDPZHPCPHGHX-JJIBRWJFSA-N
MW357.46 g/mol
LogP4.39
Rot. Bonds3

About (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)ethanimine

(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)ethanimine (PubChem CID 5351034) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)ethanimine.

Molecular Properties

Compound Name(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)ethanimine
PubChem CID5351034
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)ethanimine
SMILESC/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccco1
InChIInChI=1S/C23H23N3O/c1-17(22-11-6-16-27-22)24-26-14-12-25(13-15-26)23-20-9-4-2-7-18(20)19-8-3-5-10-21(19)23/h2-11,16,23H,12-15H2,1H3/b24-17+
InChIKeyHWSDPZHPCPHGHX-JJIBRWJFSA-N
XLogP4.39
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(furan-2-yl)ethanimine?
The IUPAC name of (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)ethanimine (CID 5351034) is (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)ethanimine.
What is the SMILES notation for (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)ethanimine?
The canonical SMILES for (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)ethanimine is C/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccco1.
What is the InChIKey of (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)ethanimine?
The InChIKey is HWSDPZHPCPHGHX-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H23N3O/c1-17(22-11-6-16-27-22)24-26-14-12-25(13-15-26)23-20-9-4-2-7-18(20)19-8-3-5-10-21(19)23/h2-11,16,23H,12-15H2,1H3/b24-17+.
What are the key properties of (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)ethanimine?
(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)ethanimine has a molecular weight of 357.46 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)ethanimine is sourced from PubChem (CID 5351034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).