2-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol

C17H19N3O — CID 135804389

IUPAC2-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19N3O/c21-17-9-5-4-6-15(17)14-18-20-12-10-19(11-13-20)16-7-2-1-3-8-16/h1-9,14,21H,10-13H2/b18-14+
InChIKeyCOUGRZCODVFOPO-NBVRZTHBSA-N
MW281.36 g/mol
LogP2.55
Rot. Bonds3

About 2-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol

2-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol (PubChem CID 135804389) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol
PubChem CID135804389
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H19N3O/c21-17-9-5-4-6-15(17)14-18-20-12-10-19(11-13-20)16-7-2-1-3-8-16/h1-9,14,21H,10-13H2/b18-14+
InChIKeyCOUGRZCODVFOPO-NBVRZTHBSA-N
XLogP2.55
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(((4-(4-Chlorobenzyl)-1-piperazinyl)imino)methyl)-5-(diethylamino)phenol
CID 135470757
2-[1-(4-Phenyl-piperazin-1-ylimino)-ethyl]-phenol
CID 135492287
2-{(1E)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimidoyl}phenol
CID 135544868
4-(1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 135505744
N-(2-Hydroxybenzylidene)-N'-phenyl-1,4-phenylenediamine
CID 689843
5-(Diethylamino)-2-({[4-(4-methylbenzyl)-1-piperazinyl]imino}methyl)phenol
CID 135501758
2-{[1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylimino]-methyl}-phenol
CID 803891
2-(4-Benzylpiperazin-1-yl)phenol
CID 8529065
4-(4-Benzylpiperazin-1-yl)phenol
CID 8690650
(6E)-6-{[(2E)-2-{[4-(Dimethylamino)phenyl]methylidene}hydrazinyl]methylidene}cyclohexa-2,4-dien-1-one
CID 135497951
2-[5-(4-fluorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 3716559
4-[1-(4-Phenyl-piperazin-1-ylimino)-ethyl]-phenol
CID 135426057

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol?
The IUPAC name of 2-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol (CID 135804389) is 2-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol is Oc1ccccc1/C=N/N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol?
The InChIKey is COUGRZCODVFOPO-NBVRZTHBSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17-9-5-4-6-15(17)14-18-20-12-10-19(11-13-20)16-7-2-1-3-8-16/h1-9,14,21H,10-13H2/b18-14+.
What are the key properties of 2-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol?
2-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol has a molecular weight of 281.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-phenylpiperazin-1-yl)iminomethyl]phenol is sourced from PubChem (CID 135804389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).