(NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine

C19H23FN4O — CID 11849818

IUPAC(NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine
SMILESO/N=C(\CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN4O/c20-17-8-6-16(7-9-17)18(22-25)4-3-11-23-12-14-24(15-13-23)19-5-1-2-10-21-19/h1-2,5-10,25H,3-4,11-15H2/b22-18+
InChIKeyJTFASLDIMUTFOK-RELWKKBWSA-N
MW342.42 g/mol
LogP3.00
Rot. Bonds6

About (NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine

(NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine (PubChem CID 11849818) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is (NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine
PubChem CID11849818
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name(NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine
SMILESO/N=C(\CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H23FN4O/c20-17-8-6-16(7-9-17)18(22-25)4-3-11-23-12-14-24(15-13-23)19-5-1-2-10-21-19/h1-2,5-10,25H,3-4,11-15H2/b22-18+
InChIKeyJTFASLDIMUTFOK-RELWKKBWSA-N
XLogP3.00
TPSA51.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(NZ)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine
CID 155561279
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide
CID 24690721
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
N-[1-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propylidene]hydroxylamine
CID 73125691
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-pyridin-2-ylpiperazine;dihydrochloride
CID 18348689
(E)-1-(3,4-dimethylphenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
CID 11221906
5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
oxalic acid;N-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)butanoyl]phenyl]acetamide
CID 164628176
(Z)-1-(3,4-dimethylphenyl)-N-methoxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
CID 11416883

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine (CID 11849818) is (NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine is O/N=C(\CCCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1.
What is the InChIKey of (NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine?
The InChIKey is JTFASLDIMUTFOK-RELWKKBWSA-N. The full InChI is InChI=1S/C19H23FN4O/c20-17-8-6-16(7-9-17)18(22-25)4-3-11-23-12-14-24(15-13-23)19-5-1-2-10-21-19/h1-2,5-10,25H,3-4,11-15H2/b22-18+.
What are the key properties of (NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine?
(NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine has a molecular weight of 342.42 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine is sourced from PubChem (CID 11849818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).