6,6-dimethylpiperazine-2-carbaldehyde

C7H14N2O — CID 174601617

IUPAC6,6-dimethylpiperazine-2-carbaldehyde
SMILESCC1(C)CNCC(C=O)N1
InChIInChI=1S/C7H14N2O/c1-7(2)5-8-3-6(4-10)9-7/h4,6,8-9H,3,5H2,1-2H3
InChIKeyDROHNIJUNFBOAB-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.47
Rot. Bonds1

About 6,6-dimethylpiperazine-2-carbaldehyde

6,6-dimethylpiperazine-2-carbaldehyde (PubChem CID 174601617) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 6,6-dimethylpiperazine-2-carbaldehyde.

Molecular Properties

Compound Name6,6-dimethylpiperazine-2-carbaldehyde
PubChem CID174601617
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name6,6-dimethylpiperazine-2-carbaldehyde
SMILESCC1(C)CNCC(C=O)N1
InChIInChI=1S/C7H14N2O/c1-7(2)5-8-3-6(4-10)9-7/h4,6,8-9H,3,5H2,1-2H3
InChIKeyDROHNIJUNFBOAB-UHFFFAOYSA-N
XLogP-0.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;piperazine-2-carbaldehyde
CID 175278882
(3S)-5,5-dimethylpyrrolidine-3-carbaldehyde
CID 141296159
3,3-dimethylaziridine-2-carbaldehyde
CID 143355419
4-propan-2-ylpyrrolidine-2-carbaldehyde
CID 163379757
2,2-dimethyl-6-pyridin-4-ylpiperazine
CID 82403116
(3aS)-3a-methyl-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrole-2-carbaldehyde;methanol
CID 144539534
2-(6,6-dimethylpiperazin-2-yl)phenol
CID 82395867
3-ethyl-5,5-dimethylpyrrolidine-2-carbaldehyde
CID 174973635
6-(3,4-dimethylphenyl)-2,2-dimethylpiperazine
CID 82393141
1-(4,4-dimethylpyrrolidin-3-yl)prop-2-en-1-one
CID 165464428
(6S)-2,2-diethyl-6-methylpiperazine
CID 82416009
6-methylmorpholine-2-carbaldehyde
CID 174675793

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylpiperazine-2-carbaldehyde?
The IUPAC name of 6,6-dimethylpiperazine-2-carbaldehyde (CID 174601617) is 6,6-dimethylpiperazine-2-carbaldehyde.
What is the SMILES notation for 6,6-dimethylpiperazine-2-carbaldehyde?
The canonical SMILES for 6,6-dimethylpiperazine-2-carbaldehyde is CC1(C)CNCC(C=O)N1.
What is the InChIKey of 6,6-dimethylpiperazine-2-carbaldehyde?
The InChIKey is DROHNIJUNFBOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7(2)5-8-3-6(4-10)9-7/h4,6,8-9H,3,5H2,1-2H3.
What are the key properties of 6,6-dimethylpiperazine-2-carbaldehyde?
6,6-dimethylpiperazine-2-carbaldehyde has a molecular weight of 142.20 g/mol, XLogP of -0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylpiperazine-2-carbaldehyde is sourced from PubChem (CID 174601617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).