(NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine

C19H23N3O2 — CID 6369923

IUPAC(NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine
SMILESCOc1ccc(N2CCN(C/C(=N/O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3O2/c1-24-18-9-7-17(8-10-18)22-13-11-21(12-14-22)15-19(20-23)16-5-3-2-4-6-16/h2-10,23H,11-15H2,1H3/b20-19-
InChIKeyKDVQSRCLTZEPEN-VXPUYCOJSA-N
MW325.41 g/mol
LogP2.70
Rot. Bonds5

About (NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine

(NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine (PubChem CID 6369923) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine
PubChem CID6369923
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine
SMILESCOc1ccc(N2CCN(C/C(=N/O)c3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3O2/c1-24-18-9-7-17(8-10-18)22-13-11-21(12-14-22)15-19(20-23)16-5-3-2-4-6-16/h2-10,23H,11-15H2,1H3/b20-19-
InChIKeyKDVQSRCLTZEPEN-VXPUYCOJSA-N
XLogP2.70
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'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

2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethanone
CID 863811
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N,N-diphenylacetamide
CID 3040739
N-[1-[4-(4-methoxyphenyl)sulfanylphenyl]-2-(4-methylpiperazin-1-yl)ethylidene]hydroxylamine
CID 72740128
N-[1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]benzamide
CID 33104690
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 6470922
2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809
3-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-ol
CID 10711251
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenoxyethyl)acetamide
CID 18196239
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680478
2-(4-benzyl-1,4-diazepan-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 46514228
N-(3-acetylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 7935502
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 8587774

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine (CID 6369923) is (NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine is COc1ccc(N2CCN(C/C(=N/O)c3ccccc3)CC2)cc1.
What is the InChIKey of (NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine?
The InChIKey is KDVQSRCLTZEPEN-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-18-9-7-17(8-10-18)22-13-11-21(12-14-22)15-19(20-23)16-5-3-2-4-6-16/h2-10,23H,11-15H2,1H3/b20-19-.
What are the key properties of (NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine?
(NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine has a molecular weight of 325.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-1-phenylethylidene]hydroxylamine is sourced from PubChem (CID 6369923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).