(Z)-N-ethoxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-imine

C21H27N3O — CID 57440145

IUPAC(Z)-N-ethoxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-imine
SMILESCCO/N=C(/CCN1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H27N3O/c1-2-25-22-21(19-9-5-3-6-10-19)13-14-23-15-17-24(18-16-23)20-11-7-4-8-12-20/h3-12H,2,13-18H2,1H3/b22-21-
InChIKeyWNAXKRPJRKDWMB-DQRAZIAOSA-N
MW337.47 g/mol
LogP3.64
Rot. Bonds7

About (Z)-N-ethoxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-imine

(Z)-N-ethoxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-imine (PubChem CID 57440145) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is (Z)-N-ethoxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-imine.

Molecular Properties

Compound Name(Z)-N-ethoxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-imine
PubChem CID57440145
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name(Z)-N-ethoxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-imine
SMILESCCO/N=C(/CCN1CCN(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H27N3O/c1-2-25-22-21(19-9-5-3-6-10-19)13-14-23-15-17-24(18-16-23)20-11-7-4-8-12-20/h3-12H,2,13-18H2,1H3/b22-21-
InChIKeyWNAXKRPJRKDWMB-DQRAZIAOSA-N
XLogP3.64
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.64
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

2-[(Z)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile
CID 57440114
2-[(E)-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile
CID 11849229
2-[[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]amino]oxyacetonitrile
CID 73125422
1-(3-aminophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 82071142
N-benzyl-N-ethyl-3-(4-phenylpiperazin-1-yl)propanamide
CID 109022884
N-[1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propylidene]hydroxylamine
CID 73125691
(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine
CID 141100573
1-(4-methylpiperazin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 109017216
3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110853147
ethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine
CID 91214897
ethyl 2-(4-phenylpiperazin-1-yl)acetate
CID 3044259
(NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine
CID 6369923

Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethoxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-imine?
The IUPAC name of (Z)-N-ethoxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-imine (CID 57440145) is (Z)-N-ethoxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-imine.
What is the SMILES notation for (Z)-N-ethoxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-imine?
The canonical SMILES for (Z)-N-ethoxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-imine is CCO/N=C(/CCN1CCN(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of (Z)-N-ethoxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-imine?
The InChIKey is WNAXKRPJRKDWMB-DQRAZIAOSA-N. The full InChI is InChI=1S/C21H27N3O/c1-2-25-22-21(19-9-5-3-6-10-19)13-14-23-15-17-24(18-16-23)20-11-7-4-8-12-20/h3-12H,2,13-18H2,1H3/b22-21-.
What are the key properties of (Z)-N-ethoxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-imine?
(Z)-N-ethoxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-imine has a molecular weight of 337.47 g/mol, XLogP of 3.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethoxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-imine is sourced from PubChem (CID 57440145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).