2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine

C26H28ClN3O — CID 2765007

IUPAC2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine
SMILESClc1ccc(CON=C(CN2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H28ClN3O/c27-25-13-11-23(12-14-25)21-31-28-26(24-9-5-2-6-10-24)20-30-17-15-29(16-18-30)19-22-7-3-1-4-8-22/h1-14H,15-21H2
InChIKeyLQRDOURQCAQITO-UHFFFAOYSA-N
MW433.98 g/mol
LogP5.08
Rot. Bonds8

About 2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine

2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine (PubChem CID 2765007) has the molecular formula C26H28ClN3O and a molecular weight of 433.98 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine
PubChem CID2765007
Molecular FormulaC26H28ClN3O
Molecular Weight433.98 g/mol
Exact Mass433.19
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine
SMILESClc1ccc(CON=C(CN2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C26H28ClN3O/c27-25-13-11-23(12-14-25)21-31-28-26(24-9-5-2-6-10-24)20-30-17-15-29(16-18-30)19-22-7-3-1-4-8-22/h1-14H,15-21H2
InChIKeyLQRDOURQCAQITO-UHFFFAOYSA-N
XLogP5.08
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.98
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyloxy-1-methyl-2,6-diphenyl-piperidin-4-imine
CID 338334
N-[(4-chlorophenyl)-phenylmethoxy]-1-methylpiperidin-4-imine
CID 46881705
3-(4-Benzhydrylpiperazin-1-yl)-1-(4-chlorophenyl)propan-1-ol
CID 145958584
2,6-bis(4-chlorophenyl)-3,5-dimethyl-N-phenylmethoxypiperidin-4-imine
CID 44219760
(E)-2,6-bis(4-chlorophenyl)-3-methyl-N-phenylmethoxypiperidin-4-imine
CID 45266939
2,6-bis(4-chlorophenyl)-N-phenylmethoxypiperidin-4-imine
CID 45267034
N-benzyloxy-2,4-bis(4-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-imine
CID 46878944
N-(Benzyloxy)-2,4-bis(4-chlorophenyl)-3-methyl-3-azabicyclo[3.3.1]nonan-9-imine
CID 46878994
(2R,3S,6S)-1-allyl-N-benzyloxy-2,6-bis(4-chlorophenyl)-3-methyl-piperidin-4-imine
CID 71449652
(2R,6S)-1-allyl-N-benzyloxy-2,6-diphenyl-piperidin-4-imine
CID 71458655
8-[(4-Chlorophenyl)methyl]-3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 134787886
2-[[3-(4-Chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl-[(4-fluorophenyl)methyl]amino]-1-phenylethanol
CID 46014306

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine (CID 2765007) is 2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine is Clc1ccc(CON=C(CN2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine?
The InChIKey is LQRDOURQCAQITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O/c27-25-13-11-23(12-14-25)21-31-28-26(24-9-5-2-6-10-24)20-30-17-15-29(16-18-30)19-22-7-3-1-4-8-22/h1-14H,15-21H2.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine?
2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine has a molecular weight of 433.98 g/mol, XLogP of 5.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methoxy]-1-phenylethanimine is sourced from PubChem (CID 2765007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).