(E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine

C25H27N3O — CID 7387954

IUPAC(E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine
SMILESC(=N/N1CCN(Cc2ccccc2)CC1)\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H27N3O/c1-3-7-23(8-4-1)20-27-15-17-28(18-16-27)26-19-22-11-13-25(14-12-22)29-21-24-9-5-2-6-10-24/h1-14,19H,15-18,20-21H2/b26-19+
InChIKeyKVDVAWBLDPOQCG-LGUFXXKBSA-N
MW385.51 g/mol
LogP4.42
Rot. Bonds7

About (E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine

(E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine (PubChem CID 7387954) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is (E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine
PubChem CID7387954
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name(E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine
SMILESC(=N/N1CCN(Cc2ccccc2)CC1)\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H27N3O/c1-3-7-23(8-4-1)20-27-15-17-28(18-16-27)26-19-22-11-13-25(14-12-22)29-21-24-9-5-2-6-10-24/h1-14,19H,15-18,20-21H2/b26-19+
InChIKeyKVDVAWBLDPOQCG-LGUFXXKBSA-N
XLogP4.42
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.42
H-Bond Donors ≤ 50
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

(E)-N-(4-benzylpiperazin-1-yl)-1-(4-bromophenyl)methanimine
CID 5343052
N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
CID 726928
1,4-bis[(4-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 6480590
N-(4-benzylpiperazin-1-yl)-1-pyridin-4-ylmethanimine;hydrochloride
CID 2868959
4-[(4-benzylpiperazin-1-yl)iminomethyl]-N,N-diethylaniline
CID 1110798
N-(4-benzylpiperazin-1-yl)-1-(4-nitrophenyl)methanimine
CID 781474
(Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine
CID 5413985
(E)-N-(4-benzylpiperazin-1-yl)-1-(5-methylfuran-2-yl)methanimine;hydrochloride
CID 56642896
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(4-methoxyphenyl)methanimine
CID 5405984
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)methanimine
CID 5342676
N-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine
CID 869954
(E)-N-(4-benzylpiperazin-1-yl)-1-(2,4-dimethoxyphenyl)methanimine
CID 6887175

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine?
The IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine (CID 7387954) is (E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine?
The canonical SMILES for (E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine is C(=N/N1CCN(Cc2ccccc2)CC1)\c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine?
The InChIKey is KVDVAWBLDPOQCG-LGUFXXKBSA-N. The full InChI is InChI=1S/C25H27N3O/c1-3-7-23(8-4-1)20-27-15-17-28(18-16-27)26-19-22-11-13-25(14-12-22)29-21-24-9-5-2-6-10-24/h1-14,19H,15-18,20-21H2/b26-19+.
What are the key properties of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine?
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine has a molecular weight of 385.51 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-benzylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine is sourced from PubChem (CID 7387954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).