(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-pyridin-3-ylmethanimine

C23H22N4 — CID 5351010

IUPAC(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-pyridin-3-ylmethanimine
SMILESC(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1cccnc1
InChIInChI=1S/C23H22N4/c1-3-9-21-19(7-1)20-8-2-4-10-22(20)23(21)26-12-14-27(15-13-26)25-17-18-6-5-11-24-16-18/h1-11,16-17,23H,12-15H2/b25-17+
InChIKeyJGQSQTHHVFYQNZ-KOEQRZSOSA-N
MW354.46 g/mol
LogP3.80
Rot. Bonds3

About (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-pyridin-3-ylmethanimine

(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-pyridin-3-ylmethanimine (PubChem CID 5351010) has the molecular formula C23H22N4 and a molecular weight of 354.46 g/mol. Its IUPAC name is (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-pyridin-3-ylmethanimine.

Molecular Properties

Compound Name(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-pyridin-3-ylmethanimine
PubChem CID5351010
Molecular FormulaC23H22N4
Molecular Weight354.46 g/mol
Exact Mass354.18
IUPAC Name(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-pyridin-3-ylmethanimine
SMILESC(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1cccnc1
InChIInChI=1S/C23H22N4/c1-3-9-21-19(7-1)20-8-2-4-10-22(20)23(21)26-12-14-27(15-13-26)25-17-18-6-5-11-24-16-18/h1-11,16-17,23H,12-15H2/b25-17+
InChIKeyJGQSQTHHVFYQNZ-KOEQRZSOSA-N
XLogP3.80
TPSA31.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-pyridin-3-ylmethanimine?
The IUPAC name of (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-pyridin-3-ylmethanimine (CID 5351010) is (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-pyridin-3-ylmethanimine.
What is the SMILES notation for (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-pyridin-3-ylmethanimine?
The canonical SMILES for (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-pyridin-3-ylmethanimine is C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1cccnc1.
What is the InChIKey of (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-pyridin-3-ylmethanimine?
The InChIKey is JGQSQTHHVFYQNZ-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H22N4/c1-3-9-21-19(7-1)20-8-2-4-10-22(20)23(21)26-12-14-27(15-13-26)25-17-18-6-5-11-24-16-18/h1-11,16-17,23H,12-15H2/b25-17+.
What are the key properties of (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-pyridin-3-ylmethanimine?
(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-pyridin-3-ylmethanimine has a molecular weight of 354.46 g/mol, XLogP of 3.80, 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-pyridin-3-ylmethanimine is sourced from PubChem (CID 5351010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).