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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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).