acetaldehyde;1-ethyl-4-methylpiperazine

C9H20N2O — CID 143528036

IUPACacetaldehyde;1-ethyl-4-methylpiperazine
SMILESCC=O.CCN1CCN(C)CC1
InChIInChI=1S/C7H16N2.C2H4O/c1-3-9-6-4-8(2)5-7-9;1-2-3/h3-7H2,1-2H3;2H,1H3
InChIKeyQGLCWAPXZJXVLB-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.46
Rot. Bonds1

About acetaldehyde;1-ethyl-4-methylpiperazine

acetaldehyde;1-ethyl-4-methylpiperazine (PubChem CID 143528036) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is acetaldehyde;1-ethyl-4-methylpiperazine.

Molecular Properties

Compound Nameacetaldehyde;1-ethyl-4-methylpiperazine
PubChem CID143528036
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameacetaldehyde;1-ethyl-4-methylpiperazine
SMILESCC=O.CCN1CCN(C)CC1
InChIInChI=1S/C7H16N2.C2H4O/c1-3-9-6-4-8(2)5-7-9;1-2-3/h3-7H2,1-2H3;2H,1H3
InChIKeyQGLCWAPXZJXVLB-UHFFFAOYSA-N
XLogP0.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
butane;1-ethyl-4-methylpiperazine
CID 143179774
ethane;1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 170586549
ethane;1-ethyl-4-methylpiperazine;methanethiol
CID 142272147
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221
2-(4-ethyl-7-methyl-1,4,7-triazonan-1-yl)acetic acid
CID 159982673
2-[7-(carboxymethyl)-4-ethyl-10-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 137448382
1-ethyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine
CID 165044772
1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane
CID 118545612
1,4-diethylpiperazine;sulfane
CID 177062456
1,4-diethylpiperidine;1-ethyl-4-methylpiperazine
CID 143157970

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1-ethyl-4-methylpiperazine?
The IUPAC name of acetaldehyde;1-ethyl-4-methylpiperazine (CID 143528036) is acetaldehyde;1-ethyl-4-methylpiperazine.
What is the SMILES notation for acetaldehyde;1-ethyl-4-methylpiperazine?
The canonical SMILES for acetaldehyde;1-ethyl-4-methylpiperazine is CC=O.CCN1CCN(C)CC1.
What is the InChIKey of acetaldehyde;1-ethyl-4-methylpiperazine?
The InChIKey is QGLCWAPXZJXVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C2H4O/c1-3-9-6-4-8(2)5-7-9;1-2-3/h3-7H2,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;1-ethyl-4-methylpiperazine?
acetaldehyde;1-ethyl-4-methylpiperazine has a molecular weight of 172.27 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1-ethyl-4-methylpiperazine is sourced from PubChem (CID 143528036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).