2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol

C19H23N3O — CID 873932

IUPAC2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
SMILESCc1ccc(CN2CCN(N=Cc3ccccc3O)CC2)cc1
InChIInChI=1S/C19H23N3O/c1-16-6-8-17(9-7-16)15-21-10-12-22(13-11-21)20-14-18-4-2-3-5-19(18)23/h2-9,14,23H,10-13,15H2,1H3
InChIKeyHDSKNFJOPFFJER-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.85
Rot. Bonds4

About 2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol

2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol (PubChem CID 873932) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
PubChem CID873932
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
SMILESCc1ccc(CN2CCN(N=Cc3ccccc3O)CC2)cc1
InChIInChI=1S/C19H23N3O/c1-16-6-8-17(9-7-16)15-21-10-12-22(13-11-21)20-14-18-4-2-3-5-19(18)23/h2-9,14,23H,10-13,15H2,1H3
InChIKeyHDSKNFJOPFFJER-UHFFFAOYSA-N
XLogP2.85
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.85
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

1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 3383332
(Z)-1-(2-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 5392046
N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
CID 726928
2-[(E)-[4-[(Z)-(2-hydroxyphenyl)methylideneamino]piperazin-1-yl]iminomethyl]phenol
CID 136766507
2,4-diiodo-6-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 135526874
1-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 2794205
N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine
CID 2794234
2-[(Z)-(4-benzylpiperazin-1-yl)iminomethyl]-4-bromophenol
CID 135936131
(Z)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-(2,4,5-trimethoxyphenyl)methanimine
CID 6105625
(E)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-1-pyridin-2-ylmethanimine;hydrochloride
CID 44723897
2-[(E)-(4-methylpiperazin-1-yl)iminomethyl]phenol
CID 135675989
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)methanimine
CID 5342676

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol?
The IUPAC name of 2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol (CID 873932) is 2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol?
The canonical SMILES for 2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol is Cc1ccc(CN2CCN(N=Cc3ccccc3O)CC2)cc1.
What is the InChIKey of 2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol?
The InChIKey is HDSKNFJOPFFJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-16-6-8-17(9-7-16)15-21-10-12-22(13-11-21)20-14-18-4-2-3-5-19(18)23/h2-9,14,23H,10-13,15H2,1H3.
What are the key properties of 2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol?
2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol has a molecular weight of 309.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol is sourced from PubChem (CID 873932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).