(1E)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

C19H24N4O2 — CID 11849823

IUPAC(1E)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCc1cccc(/C(=N\O)C(O)CN2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C19H24N4O2/c1-15-5-4-6-16(13-15)19(21-25)17(24)14-22-9-11-23(12-10-22)18-7-2-3-8-20-18/h2-8,13,17,24-25H,9-12,14H2,1H3/b21-19+
InChIKeyICPYNMWGXFFVKR-XUTLUUPISA-N
MW340.43 g/mol
LogP1.75
Rot. Bonds5

About (1E)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol

(1E)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (PubChem CID 11849823) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (1E)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(1E)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
PubChem CID11849823
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(1E)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
SMILESCc1cccc(/C(=N\O)C(O)CN2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C19H24N4O2/c1-15-5-4-6-16(13-15)19(21-25)17(24)14-22-9-11-23(12-10-22)18-7-2-3-8-20-18/h2-8,13,17,24-25H,9-12,14H2,1H3/b21-19+
InChIKeyICPYNMWGXFFVKR-XUTLUUPISA-N
XLogP1.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Azaperol
CID 3080589
(S)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-ol
CID 44350942
Z-1-Phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one OEthyloxime
CID 11151919
(Z)-3-(4-pyridin-2-ylpiperazin-1-yl)-1-(m-tolyl)propan-1-one O-methyloxime
CID 11151920
(Z)-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Om-ethyloxime
CID 11163137
(E)-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-isopropyloxime
CID 11175610
(NE)-N-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine
CID 11185987
(E)-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-propyloxime
CID 11198974
(E)-1-(4-chlorophenyl)-2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanon-1-one O-methyloxime
CID 11211058
(E)-1-(3,4-dimethylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)-propan-1-one O-methyloxime
CID 11221906
(E)-1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one O-ethyloxime
CID 11256262
(E)-4-[1-methoxyimino-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]benzonitrile
CID 11256583

Frequently Asked Questions

What is the IUPAC name of (1E)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The IUPAC name of (1E)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol (CID 11849823) is (1E)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for (1E)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for (1E)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is Cc1cccc(/C(=N\O)C(O)CN2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of (1E)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
The InChIKey is ICPYNMWGXFFVKR-XUTLUUPISA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-5-4-6-16(13-15)19(21-25)17(24)14-22-9-11-23(12-10-22)18-7-2-3-8-20-18/h2-8,13,17,24-25H,9-12,14H2,1H3/b21-19+.
What are the key properties of (1E)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol?
(1E)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol has a molecular weight of 340.43 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-hydroxyimino-1-(3-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 11849823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).