4-[(E)-C-methyl-N-(4-phenylpiperazin-1-yl)carbonimidoyl]phenol

C18H21N3O — CID 135426057

IUPAC4-[(E)-C-methyl-N-(4-phenylpiperazin-1-yl)carbonimidoyl]phenol
SMILESC/C(=N\N1CCN(c2ccccc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C18H21N3O/c1-15(16-7-9-18(22)10-8-16)19-21-13-11-20(12-14-21)17-5-3-2-4-6-17/h2-10,22H,11-14H2,1H3/b19-15+
InChIKeyAPNRXQYMFAHRFU-XDJHFCHBSA-N
MW295.39 g/mol
LogP2.94
Rot. Bonds3

About 4-[(E)-C-methyl-N-(4-phenylpiperazin-1-yl)carbonimidoyl]phenol

4-[(E)-C-methyl-N-(4-phenylpiperazin-1-yl)carbonimidoyl]phenol (PubChem CID 135426057) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-[(E)-C-methyl-N-(4-phenylpiperazin-1-yl)carbonimidoyl]phenol.

Molecular Properties

Compound Name4-[(E)-C-methyl-N-(4-phenylpiperazin-1-yl)carbonimidoyl]phenol
PubChem CID135426057
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name4-[(E)-C-methyl-N-(4-phenylpiperazin-1-yl)carbonimidoyl]phenol
SMILESC/C(=N\N1CCN(c2ccccc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C18H21N3O/c1-15(16-7-9-18(22)10-8-16)19-21-13-11-20(12-14-21)17-5-3-2-4-6-17/h2-10,22H,11-14H2,1H3/b19-15+
InChIKeyAPNRXQYMFAHRFU-XDJHFCHBSA-N
XLogP2.94
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.94
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-[(E)-C-methyl-N-(4-phenylpiperazin-1-yl)carbonimidoyl]phenol?
The IUPAC name of 4-[(E)-C-methyl-N-(4-phenylpiperazin-1-yl)carbonimidoyl]phenol (CID 135426057) is 4-[(E)-C-methyl-N-(4-phenylpiperazin-1-yl)carbonimidoyl]phenol.
What is the SMILES notation for 4-[(E)-C-methyl-N-(4-phenylpiperazin-1-yl)carbonimidoyl]phenol?
The canonical SMILES for 4-[(E)-C-methyl-N-(4-phenylpiperazin-1-yl)carbonimidoyl]phenol is C/C(=N\N1CCN(c2ccccc2)CC1)c1ccc(O)cc1.
What is the InChIKey of 4-[(E)-C-methyl-N-(4-phenylpiperazin-1-yl)carbonimidoyl]phenol?
The InChIKey is APNRXQYMFAHRFU-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H21N3O/c1-15(16-7-9-18(22)10-8-16)19-21-13-11-20(12-14-21)17-5-3-2-4-6-17/h2-10,22H,11-14H2,1H3/b19-15+.
What are the key properties of 4-[(E)-C-methyl-N-(4-phenylpiperazin-1-yl)carbonimidoyl]phenol?
4-[(E)-C-methyl-N-(4-phenylpiperazin-1-yl)carbonimidoyl]phenol has a molecular weight of 295.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-C-methyl-N-(4-phenylpiperazin-1-yl)carbonimidoyl]phenol is sourced from PubChem (CID 135426057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).