N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine

C23H23N3O — CID 1273007

IUPACN-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine
SMILESCc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)o1
InChIInChI=1S/C23H23N3O/c1-17-10-11-18(27-17)16-24-26-14-12-25(13-15-26)23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-11,16,23H,12-15H2,1H3
InChIKeyPTTFBJMAXQDBBB-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.31
Rot. Bonds3

About N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine

N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine (PubChem CID 1273007) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine.

Molecular Properties

Compound NameN-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine
PubChem CID1273007
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine
SMILESCc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)o1
InChIInChI=1S/C23H23N3O/c1-17-10-11-18(27-17)16-24-26-14-12-25(13-15-26)23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-11,16,23H,12-15H2,1H3
InChIKeyPTTFBJMAXQDBBB-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
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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Related Compounds

(Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine
CID 5499805
(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine
CID 5350792
N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
CID 3754761
(E)-N-(4-benzylpiperazin-1-yl)-1-(5-methylfuran-2-yl)methanimine;hydrochloride
CID 56642896
(E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
CID 5350855
(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-pyridin-3-ylmethanimine
CID 5351010
1-(3,4-dimethoxyphenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
CID 1388051
2-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol
CID 6905673
1-(5-methylfuran-2-yl)-N-(4-methylpiperazin-1-yl)methanimine;phosphoric acid
CID 73242891
(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine
CID 5351051
(E)-1-(5-bromo-2-fluorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
CID 6886630
1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride
CID 24842181

Frequently Asked Questions

What is the IUPAC name of N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine?
The IUPAC name of N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine (CID 1273007) is N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine.
What is the SMILES notation for N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine?
The canonical SMILES for N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine is Cc1ccc(C=NN2CCN(C3c4ccccc4-c4ccccc43)CC2)o1.
What is the InChIKey of N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine?
The InChIKey is PTTFBJMAXQDBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-17-10-11-18(27-17)16-24-26-14-12-25(13-15-26)23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-11,16,23H,12-15H2,1H3.
What are the key properties of N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine?
N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine has a molecular weight of 357.46 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine is sourced from PubChem (CID 1273007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).