(E)-N-butoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine

C22H30N4O — CID 11849228

IUPAC(E)-N-butoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCCCCO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C22H30N4O/c1-2-3-19-27-24-21(20-9-5-4-6-10-20)12-14-25-15-17-26(18-16-25)22-11-7-8-13-23-22/h4-11,13H,2-3,12,14-19H2,1H3/b24-21+
InChIKeyGKAHQRUGLPWNGV-DARPEHSRSA-N
MW366.51 g/mol
LogP3.81
Rot. Bonds9

About (E)-N-butoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine

(E)-N-butoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (PubChem CID 11849228) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (E)-N-butoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.

Molecular Properties

Compound Name(E)-N-butoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
PubChem CID11849228
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(E)-N-butoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
SMILESCCCCO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C22H30N4O/c1-2-3-19-27-24-21(20-9-5-4-6-10-20)12-14-25-15-17-26(18-16-25)22-11-7-8-13-23-22/h4-11,13H,2-3,12,14-19H2,1H3/b24-21+
InChIKeyGKAHQRUGLPWNGV-DARPEHSRSA-N
XLogP3.81
TPSA40.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.81
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-butoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The IUPAC name of (E)-N-butoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine (CID 11849228) is (E)-N-butoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine.
What is the SMILES notation for (E)-N-butoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The canonical SMILES for (E)-N-butoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is CCCCO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of (E)-N-butoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
The InChIKey is GKAHQRUGLPWNGV-DARPEHSRSA-N. The full InChI is InChI=1S/C22H30N4O/c1-2-3-19-27-24-21(20-9-5-4-6-10-20)12-14-25-15-17-26(18-16-25)22-11-7-8-13-23-22/h4-11,13H,2-3,12,14-19H2,1H3/b24-21+.
What are the key properties of (E)-N-butoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine?
(E)-N-butoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine has a molecular weight of 366.51 g/mol, XLogP of 3.81, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butoxy-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine is sourced from PubChem (CID 11849228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).