methanol;2-[2-(4-propylpiperazin-1-yl)ethoxy]acetaldehyde

C12H26N2O3 — CID 163291744

IUPACmethanol;2-[2-(4-propylpiperazin-1-yl)ethoxy]acetaldehyde
SMILESCCCN1CCN(CCOCC=O)CC1.CO
InChIInChI=1S/C11H22N2O2.CH4O/c1-2-3-12-4-6-13(7-5-12)8-10-15-11-9-14;1-2/h9H,2-8,10-11H2,1H3;2H,1H3
InChIKeyMLAPFJSQNPKWGO-UHFFFAOYSA-N
MW246.35 g/mol
LogP-0.16
Rot. Bonds7

About methanol;2-[2-(4-propylpiperazin-1-yl)ethoxy]acetaldehyde

methanol;2-[2-(4-propylpiperazin-1-yl)ethoxy]acetaldehyde (PubChem CID 163291744) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is methanol;2-[2-(4-propylpiperazin-1-yl)ethoxy]acetaldehyde.

Molecular Properties

Compound Namemethanol;2-[2-(4-propylpiperazin-1-yl)ethoxy]acetaldehyde
PubChem CID163291744
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Namemethanol;2-[2-(4-propylpiperazin-1-yl)ethoxy]acetaldehyde
SMILESCCCN1CCN(CCOCC=O)CC1.CO
InChIInChI=1S/C11H22N2O2.CH4O/c1-2-3-12-4-6-13(7-5-12)8-10-15-11-9-14;1-2/h9H,2-8,10-11H2,1H3;2H,1H3
InChIKeyMLAPFJSQNPKWGO-UHFFFAOYSA-N
XLogP-0.16
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxy]acetaldehyde
CID 126718821
methanamine;2-[3-[2-(4-methylpiperazin-1-yl)ethoxy]propoxy]acetaldehyde
CID 171070563
2-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]acetaldehyde
CID 126718825
ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten
CID 156720121
2-[4-(2-propoxyethyl)piperazin-1-yl]propanoic acid
CID 106454666
1-(4-propylpiperazin-1-yl)ethanone;tungsten
CID 59834183
1-(2-methoxyethyl)-4-propyl-1,4-diazepane
CID 157028655
methanol;1-propylpiperidine
CID 171515121
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041
2-[2-(4-methylpiperazin-1-yl)ethoxy]acetamide
CID 142386012
4-butylpiperazine-1-carbaldehyde;ethane
CID 164877634
2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol
CID 100986630

Frequently Asked Questions

What is the IUPAC name of methanol;2-[2-(4-propylpiperazin-1-yl)ethoxy]acetaldehyde?
The IUPAC name of methanol;2-[2-(4-propylpiperazin-1-yl)ethoxy]acetaldehyde (CID 163291744) is methanol;2-[2-(4-propylpiperazin-1-yl)ethoxy]acetaldehyde.
What is the SMILES notation for methanol;2-[2-(4-propylpiperazin-1-yl)ethoxy]acetaldehyde?
The canonical SMILES for methanol;2-[2-(4-propylpiperazin-1-yl)ethoxy]acetaldehyde is CCCN1CCN(CCOCC=O)CC1.CO.
What is the InChIKey of methanol;2-[2-(4-propylpiperazin-1-yl)ethoxy]acetaldehyde?
The InChIKey is MLAPFJSQNPKWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.CH4O/c1-2-3-12-4-6-13(7-5-12)8-10-15-11-9-14;1-2/h9H,2-8,10-11H2,1H3;2H,1H3.
What are the key properties of methanol;2-[2-(4-propylpiperazin-1-yl)ethoxy]acetaldehyde?
methanol;2-[2-(4-propylpiperazin-1-yl)ethoxy]acetaldehyde has a molecular weight of 246.35 g/mol, XLogP of -0.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-[2-(4-propylpiperazin-1-yl)ethoxy]acetaldehyde is sourced from PubChem (CID 163291744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).