4-(2-aminoethyl)piperazine-1-carbaldehyde

C7H15N3O — CID 14876000

IUPAC4-(2-aminoethyl)piperazine-1-carbaldehyde
SMILESNCCN1CCN(C=O)CC1
InChIInChI=1S/C7H15N3O/c8-1-2-9-3-5-10(7-11)6-4-9/h7H,1-6,8H2
InChIKeyJLEHUCNAWHLRON-UHFFFAOYSA-N
MW157.22 g/mol
LogP-1.28
Rot. Bonds3

About 4-(2-aminoethyl)piperazine-1-carbaldehyde

4-(2-aminoethyl)piperazine-1-carbaldehyde (PubChem CID 14876000) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is 4-(2-aminoethyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-aminoethyl)piperazine-1-carbaldehyde
PubChem CID14876000
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name4-(2-aminoethyl)piperazine-1-carbaldehyde
SMILESNCCN1CCN(C=O)CC1
InChIInChI=1S/C7H15N3O/c8-1-2-9-3-5-10(7-11)6-4-9/h7H,1-6,8H2
InChIKeyJLEHUCNAWHLRON-UHFFFAOYSA-N
XLogP-1.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
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 4-(2-aminoethyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(2-aminoethyl)piperazine-1-carbaldehyde (CID 14876000) is 4-(2-aminoethyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(2-aminoethyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(2-aminoethyl)piperazine-1-carbaldehyde is NCCN1CCN(C=O)CC1.
What is the InChIKey of 4-(2-aminoethyl)piperazine-1-carbaldehyde?
The InChIKey is JLEHUCNAWHLRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O/c8-1-2-9-3-5-10(7-11)6-4-9/h7H,1-6,8H2.
What are the key properties of 4-(2-aminoethyl)piperazine-1-carbaldehyde?
4-(2-aminoethyl)piperazine-1-carbaldehyde has a molecular weight of 157.22 g/mol, XLogP of -1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 14876000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).