1-(2-methoxyphenyl)-4-nitrosopiperazine

C11H15N3O2 — CID 154814146

IUPAC1-(2-methoxyphenyl)-4-nitrosopiperazine
SMILESCOc1ccccc1N1CCN(N=O)CC1
InChIInChI=1S/C11H15N3O2/c1-16-11-5-3-2-4-10(11)13-6-8-14(12-15)9-7-13/h2-5H,6-9H2,1H3
InChIKeyVKBXEOUCIQLIHX-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.50
Rot. Bonds3

About 1-(2-methoxyphenyl)-4-nitrosopiperazine

1-(2-methoxyphenyl)-4-nitrosopiperazine (PubChem CID 154814146) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-nitrosopiperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-nitrosopiperazine
PubChem CID154814146
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(2-methoxyphenyl)-4-nitrosopiperazine
SMILESCOc1ccccc1N1CCN(N=O)CC1
InChIInChI=1S/C11H15N3O2/c1-16-11-5-3-2-4-10(11)13-6-8-14(12-15)9-7-13/h2-5H,6-9H2,1H3
InChIKeyVKBXEOUCIQLIHX-UHFFFAOYSA-N
XLogP1.50
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-(furan-2-yl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]methanimine
CID 5415041
1-ethynyl-4-(2-methoxyphenyl)piperazine
CID 67760707
4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane
CID 176933740
1-(4-methoxyphenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 761172
4-[(Z)-N-[4-(2-methoxyphenyl)piperazin-1-yl]-C-methylcarbonimidoyl]phenol
CID 135877641
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
1-(4-bromophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 1353948
1-(4-chlorophenyl)-N-[4-(2-methoxyphenyl)piperazin-1-yl]ethanimine
CID 681522
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
N-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methylthiophen-2-yl)methanimine
CID 761607
2-methoxy-6-[[4-(2-methoxyphenyl)piperazin-1-yl]iminomethyl]phenol
CID 876914

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-nitrosopiperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-nitrosopiperazine (CID 154814146) is 1-(2-methoxyphenyl)-4-nitrosopiperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-nitrosopiperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-nitrosopiperazine is COc1ccccc1N1CCN(N=O)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-nitrosopiperazine?
The InChIKey is VKBXEOUCIQLIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-16-11-5-3-2-4-10(11)13-6-8-14(12-15)9-7-13/h2-5H,6-9H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-nitrosopiperazine?
1-(2-methoxyphenyl)-4-nitrosopiperazine has a molecular weight of 221.26 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-nitrosopiperazine is sourced from PubChem (CID 154814146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).