6-[4-[(2E)-2-(4-fluorophenyl)-2-methoxyiminoethyl]piperazin-1-yl]pyridin-3-ol

C18H21FN4O2 — CID 11279378

IUPAC6-[4-[(2E)-2-(4-fluorophenyl)-2-methoxyiminoethyl]piperazin-1-yl]pyridin-3-ol
SMILESCO/N=C(/CN1CCN(c2ccc(O)cn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H21FN4O2/c1-25-21-17(14-2-4-15(19)5-3-14)13-22-8-10-23(11-9-22)18-7-6-16(24)12-20-18/h2-7,12,24H,8-11,13H2,1H3/b21-17-
InChIKeyUYFYQHRZDTXROW-FXBPSFAMSA-N
MW344.39 g/mol
LogP2.10
Rot. Bonds5

About 6-[4-[(2E)-2-(4-fluorophenyl)-2-methoxyiminoethyl]piperazin-1-yl]pyridin-3-ol

6-[4-[(2E)-2-(4-fluorophenyl)-2-methoxyiminoethyl]piperazin-1-yl]pyridin-3-ol (PubChem CID 11279378) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is 6-[4-[(2E)-2-(4-fluorophenyl)-2-methoxyiminoethyl]piperazin-1-yl]pyridin-3-ol.

Molecular Properties

Compound Name6-[4-[(2E)-2-(4-fluorophenyl)-2-methoxyiminoethyl]piperazin-1-yl]pyridin-3-ol
PubChem CID11279378
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC Name6-[4-[(2E)-2-(4-fluorophenyl)-2-methoxyiminoethyl]piperazin-1-yl]pyridin-3-ol
SMILESCO/N=C(/CN1CCN(c2ccc(O)cn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C18H21FN4O2/c1-25-21-17(14-2-4-15(19)5-3-14)13-22-8-10-23(11-9-22)18-7-6-16(24)12-20-18/h2-7,12,24H,8-11,13H2,1H3/b21-17-
InChIKeyUYFYQHRZDTXROW-FXBPSFAMSA-N
XLogP2.10
TPSA61.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.10
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 6-[4-[(2E)-2-(4-fluorophenyl)-2-methoxyiminoethyl]piperazin-1-yl]pyridin-3-ol?
The IUPAC name of 6-[4-[(2E)-2-(4-fluorophenyl)-2-methoxyiminoethyl]piperazin-1-yl]pyridin-3-ol (CID 11279378) is 6-[4-[(2E)-2-(4-fluorophenyl)-2-methoxyiminoethyl]piperazin-1-yl]pyridin-3-ol.
What is the SMILES notation for 6-[4-[(2E)-2-(4-fluorophenyl)-2-methoxyiminoethyl]piperazin-1-yl]pyridin-3-ol?
The canonical SMILES for 6-[4-[(2E)-2-(4-fluorophenyl)-2-methoxyiminoethyl]piperazin-1-yl]pyridin-3-ol is CO/N=C(/CN1CCN(c2ccc(O)cn2)CC1)c1ccc(F)cc1.
What is the InChIKey of 6-[4-[(2E)-2-(4-fluorophenyl)-2-methoxyiminoethyl]piperazin-1-yl]pyridin-3-ol?
The InChIKey is UYFYQHRZDTXROW-FXBPSFAMSA-N. The full InChI is InChI=1S/C18H21FN4O2/c1-25-21-17(14-2-4-15(19)5-3-14)13-22-8-10-23(11-9-22)18-7-6-16(24)12-20-18/h2-7,12,24H,8-11,13H2,1H3/b21-17-.
What are the key properties of 6-[4-[(2E)-2-(4-fluorophenyl)-2-methoxyiminoethyl]piperazin-1-yl]pyridin-3-ol?
6-[4-[(2E)-2-(4-fluorophenyl)-2-methoxyiminoethyl]piperazin-1-yl]pyridin-3-ol has a molecular weight of 344.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2E)-2-(4-fluorophenyl)-2-methoxyiminoethyl]piperazin-1-yl]pyridin-3-ol is sourced from PubChem (CID 11279378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).