(E)-N-(4-benzylpiperazin-1-yl)-1-phenylmethanimine

C18H21N3 — CID 5343041

IUPAC(E)-N-(4-benzylpiperazin-1-yl)-1-phenylmethanimine
SMILESC(=N/N1CCN(Cc2ccccc2)CC1)\c1ccccc1
InChIInChI=1S/C18H21N3/c1-3-7-17(8-4-1)15-19-21-13-11-20(12-14-21)16-18-9-5-2-6-10-18/h1-10,15H,11-14,16H2/b19-15+
InChIKeyUOBZLUUOGDBSRF-XDJHFCHBSA-N
MW279.39 g/mol
LogP2.84
Rot. Bonds4

About (E)-N-(4-benzylpiperazin-1-yl)-1-phenylmethanimine

(E)-N-(4-benzylpiperazin-1-yl)-1-phenylmethanimine (PubChem CID 5343041) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is (E)-N-(4-benzylpiperazin-1-yl)-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-N-(4-benzylpiperazin-1-yl)-1-phenylmethanimine
PubChem CID5343041
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name(E)-N-(4-benzylpiperazin-1-yl)-1-phenylmethanimine
SMILESC(=N/N1CCN(Cc2ccccc2)CC1)\c1ccccc1
InChIInChI=1S/C18H21N3/c1-3-7-17(8-4-1)15-19-21-13-11-20(12-14-21)16-18-9-5-2-6-10-18/h1-10,15H,11-14,16H2/b19-15+
InChIKeyUOBZLUUOGDBSRF-XDJHFCHBSA-N
XLogP2.84
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-phenylmethanimine?
The IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-phenylmethanimine (CID 5343041) is (E)-N-(4-benzylpiperazin-1-yl)-1-phenylmethanimine.
What is the SMILES notation for (E)-N-(4-benzylpiperazin-1-yl)-1-phenylmethanimine?
The canonical SMILES for (E)-N-(4-benzylpiperazin-1-yl)-1-phenylmethanimine is C(=N/N1CCN(Cc2ccccc2)CC1)\c1ccccc1.
What is the InChIKey of (E)-N-(4-benzylpiperazin-1-yl)-1-phenylmethanimine?
The InChIKey is UOBZLUUOGDBSRF-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H21N3/c1-3-7-17(8-4-1)15-19-21-13-11-20(12-14-21)16-18-9-5-2-6-10-18/h1-10,15H,11-14,16H2/b19-15+.
What are the key properties of (E)-N-(4-benzylpiperazin-1-yl)-1-phenylmethanimine?
(E)-N-(4-benzylpiperazin-1-yl)-1-phenylmethanimine has a molecular weight of 279.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-benzylpiperazin-1-yl)-1-phenylmethanimine is sourced from PubChem (CID 5343041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).