N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine

C27H27N3 — CID 3754761

IUPACN-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
SMILESCC(C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)=Cc1ccccc1
InChIInChI=1S/C27H27N3/c1-21(19-22-9-3-2-4-10-22)20-28-30-17-15-29(16-18-30)27-25-13-7-5-11-23(25)24-12-6-8-14-26(24)27/h2-14,19-20,27H,15-18H2,1H3
InChIKeyCUYZFUYCEZRIGY-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.46
Rot. Bonds4

About N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine

N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine (PubChem CID 3754761) has the molecular formula C27H27N3 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound NameN-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
PubChem CID3754761
Molecular FormulaC27H27N3
Molecular Weight393.53 g/mol
Exact Mass393.22
IUPAC NameN-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine
SMILESCC(C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)=Cc1ccccc1
InChIInChI=1S/C27H27N3/c1-21(19-22-9-3-2-4-10-22)20-28-30-17-15-29(16-18-30)27-25-13-7-5-11-23(25)24-12-6-8-14-26(24)27/h2-14,19-20,27H,15-18H2,1H3
InChIKeyCUYZFUYCEZRIGY-UHFFFAOYSA-N
XLogP5.46
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine?
The IUPAC name of N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine (CID 3754761) is N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine.
What is the SMILES notation for N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine?
The canonical SMILES for N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine is CC(C=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)=Cc1ccccc1.
What is the InChIKey of N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine?
The InChIKey is CUYZFUYCEZRIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3/c1-21(19-22-9-3-2-4-10-22)20-28-30-17-15-29(16-18-30)27-25-13-7-5-11-23(25)24-12-6-8-14-26(24)27/h2-14,19-20,27H,15-18H2,1H3.
What are the key properties of N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine?
N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine has a molecular weight of 393.53 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-methyl-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 3754761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).