3-[4-(2-hydroxyethyl)piperazin-1-yl]propanal

C9H18N2O2 — CID 63039035

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]propanal
SMILESO=CCCN1CCN(CCO)CC1
InChIInChI=1S/C9H18N2O2/c12-8-1-2-10-3-5-11(6-4-10)7-9-13/h8,13H,1-7,9H2
InChIKeySVNISGHKXRHRMH-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.81
Rot. Bonds5

About 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanal

3-[4-(2-hydroxyethyl)piperazin-1-yl]propanal (PubChem CID 63039035) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanal.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]propanal
PubChem CID63039035
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]propanal
SMILESO=CCCN1CCN(CCO)CC1
InChIInChI=1S/C9H18N2O2/c12-8-1-2-10-3-5-11(6-4-10)7-9-13/h8,13H,1-7,9H2
InChIKeySVNISGHKXRHRMH-UHFFFAOYSA-N
XLogP-0.81
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-(2-hydroxyethyl)piperazin-1-yl]propanal?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanal (CID 63039035) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanal.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanal?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanal is O=CCCN1CCN(CCO)CC1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanal?
The InChIKey is SVNISGHKXRHRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c12-8-1-2-10-3-5-11(6-4-10)7-9-13/h8,13H,1-7,9H2.
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanal?
3-[4-(2-hydroxyethyl)piperazin-1-yl]propanal has a molecular weight of 186.25 g/mol, XLogP of -0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanal is sourced from PubChem (CID 63039035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).