(E)-N-ethoxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-imine

C22H29N3O2 — CID 11849263

IUPAC(E)-N-ethoxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-imine
SMILESCCO/N=C(\CCN1CCN(c2cccc(OC)c2)CC1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-3-27-23-22(19-8-5-4-6-9-19)12-13-24-14-16-25(17-15-24)20-10-7-11-21(18-20)26-2/h4-11,18H,3,12-17H2,1-2H3/b23-22+
InChIKeyQXVPJBFZQYNEQD-GHVJWSGMSA-N
MW367.49 g/mol
LogP3.65
Rot. Bonds8

About (E)-N-ethoxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-imine

(E)-N-ethoxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-imine (PubChem CID 11849263) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (E)-N-ethoxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-imine.

Molecular Properties

Compound Name(E)-N-ethoxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-imine
PubChem CID11849263
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(E)-N-ethoxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-imine
SMILESCCO/N=C(\CCN1CCN(c2cccc(OC)c2)CC1)c1ccccc1
InChIInChI=1S/C22H29N3O2/c1-3-27-23-22(19-8-5-4-6-9-19)12-13-24-14-16-25(17-15-24)20-10-7-11-21(18-20)26-2/h4-11,18H,3,12-17H2,1-2H3/b23-22+
InChIKeyQXVPJBFZQYNEQD-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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethoxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-imine?
The IUPAC name of (E)-N-ethoxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-imine (CID 11849263) is (E)-N-ethoxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-imine.
What is the SMILES notation for (E)-N-ethoxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-imine?
The canonical SMILES for (E)-N-ethoxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-imine is CCO/N=C(\CCN1CCN(c2cccc(OC)c2)CC1)c1ccccc1.
What is the InChIKey of (E)-N-ethoxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-imine?
The InChIKey is QXVPJBFZQYNEQD-GHVJWSGMSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-3-27-23-22(19-8-5-4-6-9-19)12-13-24-14-16-25(17-15-24)20-10-7-11-21(18-20)26-2/h4-11,18H,3,12-17H2,1-2H3/b23-22+.
What are the key properties of (E)-N-ethoxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-imine?
(E)-N-ethoxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-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)-N-ethoxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-imine is sourced from PubChem (CID 11849263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).