(NE)-N-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine

C18H22N4O — CID 11185987

IUPAC(NE)-N-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine
SMILESO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C18H22N4O/c23-20-17(16-6-2-1-3-7-16)9-11-21-12-14-22(15-13-21)18-8-4-5-10-19-18/h1-8,10,23H,9,11-15H2/b20-17+
InChIKeyVRICTBBEBNNBAS-LVZFUZTISA-N
MW310.40 g/mol
LogP2.47
Rot. Bonds5

About (NE)-N-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine

(NE)-N-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine (PubChem CID 11185987) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (NE)-N-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine
PubChem CID11185987
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(NE)-N-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine
SMILESO/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C18H22N4O/c23-20-17(16-6-2-1-3-7-16)9-11-21-12-14-22(15-13-21)18-8-4-5-10-19-18/h1-8,10,23H,9,11-15H2/b20-17+
InChIKeyVRICTBBEBNNBAS-LVZFUZTISA-N
XLogP2.47
TPSA51.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.47
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

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CID 5587
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2-(Benzylamino)pyridine
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WZ 811
CID 11565518
(-)-Mirtazapine
CID 3085219
5-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-ynyl]-pyridin-2-ylamine
CID 10357631
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
Thiourea, N-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-N'-2-pyridinyl-
CID 3073135
Esmirtazapine
CID 3085218
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
4-Methyl-6-(2-(5-(4-Methylpiperazin-1-Yl)pyridin-3-Yl)ethyl)pyridin-2-Amine
CID 119057273

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine (CID 11185987) is (NE)-N-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine is O/N=C(\CCN1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of (NE)-N-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine?
The InChIKey is VRICTBBEBNNBAS-LVZFUZTISA-N. The full InChI is InChI=1S/C18H22N4O/c23-20-17(16-6-2-1-3-7-16)9-11-21-12-14-22(15-13-21)18-8-4-5-10-19-18/h1-8,10,23H,9,11-15H2/b20-17+.
What are the key properties of (NE)-N-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine?
(NE)-N-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine has a molecular weight of 310.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-phenyl-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine is sourced from PubChem (CID 11185987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).