3-[(4-benzhydrylpiperazin-1-yl)iminomethyl]phenol

C24H25N3O — CID 23935322

IUPAC3-[(4-benzhydrylpiperazin-1-yl)iminomethyl]phenol
SMILESOc1cccc(C=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C24H25N3O/c28-23-13-7-8-20(18-23)19-25-27-16-14-26(15-17-27)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18-19,24,28H,14-17H2
InChIKeyOCJJGHRPAONTAQ-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.13
Rot. Bonds5

About 3-[(4-benzhydrylpiperazin-1-yl)iminomethyl]phenol

3-[(4-benzhydrylpiperazin-1-yl)iminomethyl]phenol (PubChem CID 23935322) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-[(4-benzhydrylpiperazin-1-yl)iminomethyl]phenol.

Molecular Properties

Compound Name3-[(4-benzhydrylpiperazin-1-yl)iminomethyl]phenol
PubChem CID23935322
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name3-[(4-benzhydrylpiperazin-1-yl)iminomethyl]phenol
SMILESOc1cccc(C=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C24H25N3O/c28-23-13-7-8-20(18-23)19-25-27-16-14-26(15-17-27)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18-19,24,28H,14-17H2
InChIKeyOCJJGHRPAONTAQ-UHFFFAOYSA-N
XLogP4.13
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
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

N-(4-benzhydrylpiperazin-1-yl)-1-(3-bromophenyl)methanimine
CID 3122935
(Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3-nitrophenyl)methanimine
CID 5342991
3-[[4-(4-chlorophenyl)piperazin-1-yl]iminomethyl]phenol
CID 870110
2-[(4-benzhydrylpiperazin-1-yl)iminomethyl]-6-ethoxyphenol
CID 2868303
3-[(Z)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 5402515
2-[(4-benzhydrylpiperazin-1-yl)iminomethyl]-5-(diethylamino)phenol
CID 3122939
N-(4-benzhydrylpiperazin-1-yl)-1-[(3Z)-3-benzylidene-2-morpholin-4-ylcyclopenten-1-yl]methanimine
CID 84583005
1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride
CID 6444556
N-(4-benzhydrylpiperazin-1-yl)-1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methanimine
CID 2446974
1-benzhydryl-4-methylpiperazine
CID 6726
1-(4-benzhydrylpiperazin-1-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 139840043
3-[3-[(3-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
CID 91295364

Frequently Asked Questions

What is the IUPAC name of 3-[(4-benzhydrylpiperazin-1-yl)iminomethyl]phenol?
The IUPAC name of 3-[(4-benzhydrylpiperazin-1-yl)iminomethyl]phenol (CID 23935322) is 3-[(4-benzhydrylpiperazin-1-yl)iminomethyl]phenol.
What is the SMILES notation for 3-[(4-benzhydrylpiperazin-1-yl)iminomethyl]phenol?
The canonical SMILES for 3-[(4-benzhydrylpiperazin-1-yl)iminomethyl]phenol is Oc1cccc(C=NN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of 3-[(4-benzhydrylpiperazin-1-yl)iminomethyl]phenol?
The InChIKey is OCJJGHRPAONTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c28-23-13-7-8-20(18-23)19-25-27-16-14-26(15-17-27)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18-19,24,28H,14-17H2.
What are the key properties of 3-[(4-benzhydrylpiperazin-1-yl)iminomethyl]phenol?
3-[(4-benzhydrylpiperazin-1-yl)iminomethyl]phenol has a molecular weight of 371.48 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-benzhydrylpiperazin-1-yl)iminomethyl]phenol is sourced from PubChem (CID 23935322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).