(1E)-1-(4-chlorophenyl)-1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

C19H23ClN4O2 — CID 11211058

IUPAC(1E)-1-(4-chlorophenyl)-1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCO/N=C(\c1ccc(Cl)cc1)C(O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23ClN4O2/c1-26-22-19(15-5-7-16(20)8-6-15)17(25)14-23-10-12-24(13-11-23)18-4-2-3-9-21-18/h2-9,17,25H,10-14H2,1H3/b22-19+
InChIKeyQIVGZELWYADNGV-ZBJSNUHESA-N
MW374.87 g/mol
LogP2.27
Rot. Bonds6

About (1E)-1-(4-chlorophenyl)-1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

(1E)-1-(4-chlorophenyl)-1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (PubChem CID 11211058) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is (1E)-1-(4-chlorophenyl)-1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(1E)-1-(4-chlorophenyl)-1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
PubChem CID11211058
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name(1E)-1-(4-chlorophenyl)-1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCO/N=C(\c1ccc(Cl)cc1)C(O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H23ClN4O2/c1-26-22-19(15-5-7-16(20)8-6-15)17(25)14-23-10-12-24(13-11-23)18-4-2-3-9-21-18/h2-9,17,25H,10-14H2,1H3/b22-19+
InChIKeyQIVGZELWYADNGV-ZBJSNUHESA-N
XLogP2.27
TPSA61.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 (1E)-1-(4-chlorophenyl)-1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (1E)-1-(4-chlorophenyl)-1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (CID 11211058) is (1E)-1-(4-chlorophenyl)-1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (1E)-1-(4-chlorophenyl)-1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (1E)-1-(4-chlorophenyl)-1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is CO/N=C(\c1ccc(Cl)cc1)C(O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of (1E)-1-(4-chlorophenyl)-1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is QIVGZELWYADNGV-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-26-22-19(15-5-7-16(20)8-6-15)17(25)14-23-10-12-24(13-11-23)18-4-2-3-9-21-18/h2-9,17,25H,10-14H2,1H3/b22-19+.
What are the key properties of (1E)-1-(4-chlorophenyl)-1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
(1E)-1-(4-chlorophenyl)-1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 374.87 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(4-chlorophenyl)-1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 11211058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).