3-ethylpiperazine-1-carbaldehyde

C7H14N2O — CID 19985624

IUPAC3-ethylpiperazine-1-carbaldehyde
SMILESCCC1CN(C=O)CCN1
InChIInChI=1S/C7H14N2O/c1-2-7-5-9(6-10)4-3-8-7/h6-8H,2-5H2,1H3
InChIKeyODOBIPKDHNFKTO-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.17
Rot. Bonds2

About 3-ethylpiperazine-1-carbaldehyde

3-ethylpiperazine-1-carbaldehyde (PubChem CID 19985624) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-ethylpiperazine-1-carbaldehyde.

Molecular Properties

Compound Name3-ethylpiperazine-1-carbaldehyde
PubChem CID19985624
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-ethylpiperazine-1-carbaldehyde
SMILESCCC1CN(C=O)CCN1
InChIInChI=1S/C7H14N2O/c1-2-7-5-9(6-10)4-3-8-7/h6-8H,2-5H2,1H3
InChIKeyODOBIPKDHNFKTO-UHFFFAOYSA-N
XLogP-0.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethylpiperazine-1-carbaldehyde?
The IUPAC name of 3-ethylpiperazine-1-carbaldehyde (CID 19985624) is 3-ethylpiperazine-1-carbaldehyde.
What is the SMILES notation for 3-ethylpiperazine-1-carbaldehyde?
The canonical SMILES for 3-ethylpiperazine-1-carbaldehyde is CCC1CN(C=O)CCN1.
What is the InChIKey of 3-ethylpiperazine-1-carbaldehyde?
The InChIKey is ODOBIPKDHNFKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-2-7-5-9(6-10)4-3-8-7/h6-8H,2-5H2,1H3.
What are the key properties of 3-ethylpiperazine-1-carbaldehyde?
3-ethylpiperazine-1-carbaldehyde has a molecular weight of 142.20 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpiperazine-1-carbaldehyde is sourced from PubChem (CID 19985624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).