(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine

C22H29N3O2 — CID 141100573

IUPAC(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine
SMILESCC/C(=N\OCCOc1ccccc1)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-3-22(23-27-18-17-26-21-7-5-4-6-8-21)19-9-11-20(12-10-19)25-15-13-24(2)14-16-25/h4-12H,3,13-18H2,1-2H3/b23-22+
InChIKeyYZIZOXCAQORHIU-GHVJWSGMSA-N
MW367.49 g/mol
LogP3.65
Rot. Bonds8

About (E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine

(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine (PubChem CID 141100573) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine.

Molecular Properties

Compound Name(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine
PubChem CID141100573
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine
SMILESCC/C(=N\OCCOc1ccccc1)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C22H29N3O2/c1-3-22(23-27-18-17-26-21-7-5-4-6-8-21)19-9-11-20(12-10-19)25-15-13-24(2)14-16-25/h4-12H,3,13-18H2,1-2H3/b23-22+
InChIKeyYZIZOXCAQORHIU-GHVJWSGMSA-N
XLogP3.65
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-ethylphenyl)-N-(2-phenoxyethoxy)propan-1-imine
CID 173205764
1-[4-(4-chlorophenyl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine
CID 173205726
N-[2-(2-methylphenoxy)ethoxy]-1-(4-phenylphenyl)propan-1-imine
CID 173205673
N-methoxy-1-(4-morpholin-4-ylphenyl)propan-1-imine
CID 174385262
(Z)-N-ethoxy-1-phenyl-3-(4-phenylpiperazin-1-yl)propan-1-imine
CID 57440145
3-[3-[(E)-1-(4-pyrazol-1-ylphenyl)propylideneamino]oxypropoxy]benzoic acid
CID 87833461
2-methyl-2-[3-[2-[(E)-1-(4-phenylphenyl)propylideneamino]oxyethoxy]phenyl]propanoic acid
CID 87832987
4-(4-methylpiperazin-1-yl)-N-[6-(2-phenoxyethoxy)-1H-indazol-3-yl]benzamide
CID 70982216
4-[4-(3-phenoxypropanoyl)piperazin-1-yl]benzoic acid
CID 4740871
2-[2-fluoro-5-[2-[1-(4-phenylphenyl)propylideneamino]oxyethoxy]phenyl]acetic acid
CID 173169552
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 9113502
4-[4-(4-hexoxyphenyl)piperazin-1-yl]benzoic acid
CID 11058060

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine?
The IUPAC name of (E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine (CID 141100573) is (E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine.
What is the SMILES notation for (E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine?
The canonical SMILES for (E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine is CC/C(=N\OCCOc1ccccc1)c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of (E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine?
The InChIKey is YZIZOXCAQORHIU-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-22(23-27-18-17-26-21-7-5-4-6-8-21)19-9-11-20(12-10-19)25-15-13-24(2)14-16-25/h4-12H,3,13-18H2,1-2H3/b23-22+.
What are the key properties of (E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine?
(E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine has a molecular weight of 367.49 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenoxyethoxy)propan-1-imine is sourced from PubChem (CID 141100573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).