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

C19H24N4O — CID 11849222

IUPAC(NE)-N-[1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine
SMILESCc1ccccc1/C(CCN1CCN(c2ccccn2)CC1)=N/O
InChIInChI=1S/C19H24N4O/c1-16-6-2-3-7-17(16)18(21-24)9-11-22-12-14-23(15-13-22)19-8-4-5-10-20-19/h2-8,10,24H,9,11-15H2,1H3/b21-18+
InChIKeySEFAOKXNXNIXTJ-DYTRJAOYSA-N
MW324.43 g/mol
LogP2.78
Rot. Bonds5

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

(NE)-N-[1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine (PubChem CID 11849222) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is (NE)-N-[1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine
PubChem CID11849222
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name(NE)-N-[1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine
SMILESCc1ccccc1/C(CCN1CCN(c2ccccn2)CC1)=N/O
InChIInChI=1S/C19H24N4O/c1-16-6-2-3-7-17(16)18(21-24)9-11-22-12-14-23(15-13-22)19-8-4-5-10-20-19/h2-8,10,24H,9,11-15H2,1H3/b21-18+
InChIKeySEFAOKXNXNIXTJ-DYTRJAOYSA-N
XLogP2.78
TPSA51.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.78
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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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine (CID 11849222) is (NE)-N-[1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine is Cc1ccccc1/C(CCN1CCN(c2ccccn2)CC1)=N/O.
What is the InChIKey of (NE)-N-[1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine?
The InChIKey is SEFAOKXNXNIXTJ-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-16-6-2-3-7-17(16)18(21-24)9-11-22-12-14-23(15-13-22)19-8-4-5-10-20-19/h2-8,10,24H,9,11-15H2,1H3/b21-18+.
What are the key properties of (NE)-N-[1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine?
(NE)-N-[1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine has a molecular weight of 324.43 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propylidene]hydroxylamine is sourced from PubChem (CID 11849222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).