acetaldehyde;1-(2-methoxyphenyl)piperazine

C13H20N2O2 — CID 157082158

IUPACacetaldehyde;1-(2-methoxyphenyl)piperazine
SMILESCC=O.COc1ccccc1N1CCNCC1
InChIInChI=1S/C11H16N2O.C2H4O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;1-2-3/h2-5,12H,6-9H2,1H3;2H,1H3
InChIKeyADRDXJBQDYYHHR-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.31
Rot. Bonds2

About acetaldehyde;1-(2-methoxyphenyl)piperazine

acetaldehyde;1-(2-methoxyphenyl)piperazine (PubChem CID 157082158) has the molecular formula C13H20N2O2 and a molecular weight of 236.32 g/mol. Its IUPAC name is acetaldehyde;1-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Nameacetaldehyde;1-(2-methoxyphenyl)piperazine
PubChem CID157082158
Molecular FormulaC13H20N2O2
Molecular Weight236.32 g/mol
Exact Mass236.15
IUPAC Nameacetaldehyde;1-(2-methoxyphenyl)piperazine
SMILESCC=O.COc1ccccc1N1CCNCC1
InChIInChI=1S/C11H16N2O.C2H4O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;1-2-3/h2-5,12H,6-9H2,1H3;2H,1H3
InChIKeyADRDXJBQDYYHHR-UHFFFAOYSA-N
XLogP1.31
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethyl-3-methoxyphenyl)piperazine
CID 143239355
4-(2-methoxyphenyl)piperazine-1-carbaldehyde;2-methylpropane
CID 176933740
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982247
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
1-(2-methoxyphenyl)-4-nitrosopiperazine
CID 154814146
1-(2-phenoxyphenyl)piperazine
CID 12996705
tert-butyl 4-(2-methoxyphenyl)-1,4-diazepane-1-carboxylate;1-(2-methoxyphenyl)-1,4-diazepane
CID 161383472
1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride
CID 71756588
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
1-(2-methoxy-4-methylphenyl)piperazine
CID 10488507
4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane
CID 103983150
1-[2-(3-methylbut-2-enoxy)phenyl]piperazine
CID 114284672

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1-(2-methoxyphenyl)piperazine?
The IUPAC name of acetaldehyde;1-(2-methoxyphenyl)piperazine (CID 157082158) is acetaldehyde;1-(2-methoxyphenyl)piperazine.
What is the SMILES notation for acetaldehyde;1-(2-methoxyphenyl)piperazine?
The canonical SMILES for acetaldehyde;1-(2-methoxyphenyl)piperazine is CC=O.COc1ccccc1N1CCNCC1.
What is the InChIKey of acetaldehyde;1-(2-methoxyphenyl)piperazine?
The InChIKey is ADRDXJBQDYYHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.C2H4O/c1-14-11-5-3-2-4-10(11)13-8-6-12-7-9-13;1-2-3/h2-5,12H,6-9H2,1H3;2H,1H3.
What are the key properties of acetaldehyde;1-(2-methoxyphenyl)piperazine?
acetaldehyde;1-(2-methoxyphenyl)piperazine has a molecular weight of 236.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 157082158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).