4-[C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonimidoyl]phenol

C26H27N3O — CID 2906563

IUPAC4-[C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonimidoyl]phenol
SMILESCCC(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(O)cc1
InChIInChI=1S/C26H27N3O/c1-2-25(19-11-13-20(30)14-12-19)27-29-17-15-28(16-18-29)26-23-9-5-3-7-21(23)22-8-4-6-10-24(22)26/h3-14,26,30H,2,15-18H2,1H3
InChIKeyYSRONMBYTVPWRR-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.89
Rot. Bonds4

About 4-[C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonimidoyl]phenol

4-[C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonimidoyl]phenol (PubChem CID 2906563) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-[C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonimidoyl]phenol
PubChem CID2906563
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name4-[C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonimidoyl]phenol
SMILESCCC(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(O)cc1
InChIInChI=1S/C26H27N3O/c1-2-25(19-11-13-20(30)14-12-19)27-29-17-15-28(16-18-29)26-23-9-5-3-7-21(23)22-8-4-6-10-24(22)26/h3-14,26,30H,2,15-18H2,1H3
InChIKeyYSRONMBYTVPWRR-UHFFFAOYSA-N
XLogP4.89
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonimidoyl]phenol?
The IUPAC name of 4-[C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonimidoyl]phenol (CID 2906563) is 4-[C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonimidoyl]phenol.
What is the SMILES notation for 4-[C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonimidoyl]phenol?
The canonical SMILES for 4-[C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonimidoyl]phenol is CCC(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(O)cc1.
What is the InChIKey of 4-[C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonimidoyl]phenol?
The InChIKey is YSRONMBYTVPWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-2-25(19-11-13-20(30)14-12-19)27-29-17-15-28(16-18-29)26-23-9-5-3-7-21(23)22-8-4-6-10-24(22)26/h3-14,26,30H,2,15-18H2,1H3.
What are the key properties of 4-[C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonimidoyl]phenol?
4-[C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonimidoyl]phenol has a molecular weight of 397.52 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[C-ethyl-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]carbonimidoyl]phenol is sourced from PubChem (CID 2906563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).