2-(1-butylpiperazin-2-yl)acetaldehyde

C10H20N2O — CID 54035892

IUPAC2-(1-butylpiperazin-2-yl)acetaldehyde
SMILESCCCCN1CCNCC1CC=O
InChIInChI=1S/C10H20N2O/c1-2-3-6-12-7-5-11-9-10(12)4-8-13/h8,10-11H,2-7,9H2,1H3
InChIKeyZKIQXZNJHSGPGY-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.65
Rot. Bonds5

About 2-(1-butylpiperazin-2-yl)acetaldehyde

2-(1-butylpiperazin-2-yl)acetaldehyde (PubChem CID 54035892) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-(1-butylpiperazin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-butylpiperazin-2-yl)acetaldehyde
PubChem CID54035892
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-(1-butylpiperazin-2-yl)acetaldehyde
SMILESCCCCN1CCNCC1CC=O
InChIInChI=1S/C10H20N2O/c1-2-3-6-12-7-5-11-9-10(12)4-8-13/h8,10-11H,2-7,9H2,1H3
InChIKeyZKIQXZNJHSGPGY-UHFFFAOYSA-N
XLogP0.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.65
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 2-(1-butylpiperazin-2-yl)acetaldehyde?
The IUPAC name of 2-(1-butylpiperazin-2-yl)acetaldehyde (CID 54035892) is 2-(1-butylpiperazin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(1-butylpiperazin-2-yl)acetaldehyde?
The canonical SMILES for 2-(1-butylpiperazin-2-yl)acetaldehyde is CCCCN1CCNCC1CC=O.
What is the InChIKey of 2-(1-butylpiperazin-2-yl)acetaldehyde?
The InChIKey is ZKIQXZNJHSGPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-3-6-12-7-5-11-9-10(12)4-8-13/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 2-(1-butylpiperazin-2-yl)acetaldehyde?
2-(1-butylpiperazin-2-yl)acetaldehyde has a molecular weight of 184.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butylpiperazin-2-yl)acetaldehyde is sourced from PubChem (CID 54035892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).