2-(2,6-dimethylpiperazin-1-yl)propanal

C9H18N2O — CID 174654248

IUPAC2-(2,6-dimethylpiperazin-1-yl)propanal
SMILESCC(C=O)N1C(C)CNCC1C
InChIInChI=1S/C9H18N2O/c1-7-4-10-5-8(2)11(7)9(3)6-12/h6-10H,4-5H2,1-3H3
InChIKeyBXLJQWQYMHZGDL-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.26
Rot. Bonds2

About 2-(2,6-dimethylpiperazin-1-yl)propanal

2-(2,6-dimethylpiperazin-1-yl)propanal (PubChem CID 174654248) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(2,6-dimethylpiperazin-1-yl)propanal.

Molecular Properties

Compound Name2-(2,6-dimethylpiperazin-1-yl)propanal
PubChem CID174654248
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(2,6-dimethylpiperazin-1-yl)propanal
SMILESCC(C=O)N1C(C)CNCC1C
InChIInChI=1S/C9H18N2O/c1-7-4-10-5-8(2)11(7)9(3)6-12/h6-10H,4-5H2,1-3H3
InChIKeyBXLJQWQYMHZGDL-UHFFFAOYSA-N
XLogP0.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,6-dimethylpiperazine-1-carbaldehyde
CID 143975472
(2S,6R)-2,6-dimethyl-1-(4-methylpentan-2-yl)piperazine;hydrochloride
CID 131020637
2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one
CID 130718849
oxalic acid;(2R,6S)-1,2,6-trimethylpiperazine
CID 155903876
1-(2,6-dimethylpiperazin-1-yl)-2-methoxypropan-1-one
CID 115737245
1,6-dimethylpiperazine-2-thiol
CID 142071790
1-[(2R)-2,6-dimethylpiperazin-1-yl]ethanone
CID 143550985
1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 12914605
acetaldehyde;(3S,4R)-3,4-dimethylpyrrolidine;ethane
CID 143696476
1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-3-methylbut-2-en-1-one
CID 130991658
ethane;2-methylpropanal;N-methylpyrrolidin-3-amine
CID 171505368
ethane;1-ethyl-2,6-dimethylpiperazine
CID 170737878

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpiperazin-1-yl)propanal?
The IUPAC name of 2-(2,6-dimethylpiperazin-1-yl)propanal (CID 174654248) is 2-(2,6-dimethylpiperazin-1-yl)propanal.
What is the SMILES notation for 2-(2,6-dimethylpiperazin-1-yl)propanal?
The canonical SMILES for 2-(2,6-dimethylpiperazin-1-yl)propanal is CC(C=O)N1C(C)CNCC1C.
What is the InChIKey of 2-(2,6-dimethylpiperazin-1-yl)propanal?
The InChIKey is BXLJQWQYMHZGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7-4-10-5-8(2)11(7)9(3)6-12/h6-10H,4-5H2,1-3H3.
What are the key properties of 2-(2,6-dimethylpiperazin-1-yl)propanal?
2-(2,6-dimethylpiperazin-1-yl)propanal has a molecular weight of 170.26 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpiperazin-1-yl)propanal is sourced from PubChem (CID 174654248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).