2-(3,3,4-trimethylpiperazin-1-yl)acetaldehyde

C9H18N2O — CID 63635334

IUPAC2-(3,3,4-trimethylpiperazin-1-yl)acetaldehyde
SMILESCN1CCN(CC=O)CC1(C)C
InChIInChI=1S/C9H18N2O/c1-9(2)8-11(6-7-12)5-4-10(9)3/h7H,4-6,8H2,1-3H3
InChIKeyTYNNTVHRFLAWEG-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.21
Rot. Bonds2

About 2-(3,3,4-trimethylpiperazin-1-yl)acetaldehyde

2-(3,3,4-trimethylpiperazin-1-yl)acetaldehyde (PubChem CID 63635334) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(3,3,4-trimethylpiperazin-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(3,3,4-trimethylpiperazin-1-yl)acetaldehyde
PubChem CID63635334
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(3,3,4-trimethylpiperazin-1-yl)acetaldehyde
SMILESCN1CCN(CC=O)CC1(C)C
InChIInChI=1S/C9H18N2O/c1-9(2)8-11(6-7-12)5-4-10(9)3/h7H,4-6,8H2,1-3H3
InChIKeyTYNNTVHRFLAWEG-UHFFFAOYSA-N
XLogP0.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.21
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

2-[4,7-bis(2-oxoethyl)-1,4,7-triazonan-1-yl]acetaldehyde
CID 20775518
5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 63608884
5-(3,3,4-trimethylpiperazin-1-yl)pentan-2-one
CID 63635156
4-methoxy-4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-3-one
CID 114228996
2,2-dimethyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoic acid
CID 65254593
4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine
CID 63621588
(2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol
CID 130572077
2-(5-azaspiro[2.4]heptan-5-yl)acetaldehyde
CID 130986180
2-amino-2-cyclopropyl-3-(3,3,4-trimethylpiperazin-1-yl)propanoic acid
CID 63926025
2-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]ethanamine
CID 79479691
1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
CID 63608754
2-methyl-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-amine
CID 79810631

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,4-trimethylpiperazin-1-yl)acetaldehyde?
The IUPAC name of 2-(3,3,4-trimethylpiperazin-1-yl)acetaldehyde (CID 63635334) is 2-(3,3,4-trimethylpiperazin-1-yl)acetaldehyde.
What is the SMILES notation for 2-(3,3,4-trimethylpiperazin-1-yl)acetaldehyde?
The canonical SMILES for 2-(3,3,4-trimethylpiperazin-1-yl)acetaldehyde is CN1CCN(CC=O)CC1(C)C.
What is the InChIKey of 2-(3,3,4-trimethylpiperazin-1-yl)acetaldehyde?
The InChIKey is TYNNTVHRFLAWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2)8-11(6-7-12)5-4-10(9)3/h7H,4-6,8H2,1-3H3.
What are the key properties of 2-(3,3,4-trimethylpiperazin-1-yl)acetaldehyde?
2-(3,3,4-trimethylpiperazin-1-yl)acetaldehyde has a molecular weight of 170.26 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,4-trimethylpiperazin-1-yl)acetaldehyde is sourced from PubChem (CID 63635334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).