3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde

C12H22N2O3 — CID 55051211

IUPAC3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN2CCN(CCO)CC2)CCOC1
InChIInChI=1S/C12H22N2O3/c15-7-6-13-2-4-14(5-3-13)9-12(10-16)1-8-17-11-12/h10,15H,1-9,11H2
InChIKeyUADHPIBRPTVJPN-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.80
Rot. Bonds5

About 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde

3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde (PubChem CID 55051211) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde
PubChem CID55051211
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN2CCN(CCO)CC2)CCOC1
InChIInChI=1S/C12H22N2O3/c15-7-6-13-2-4-14(5-3-13)9-12(10-16)1-8-17-11-12/h10,15H,1-9,11H2
InChIKeyUADHPIBRPTVJPN-UHFFFAOYSA-N
XLogP-0.80
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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]methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde (CID 55051211) is 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde is O=CC1(CN2CCN(CCO)CC2)CCOC1.
What is the InChIKey of 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde?
The InChIKey is UADHPIBRPTVJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-7-6-13-2-4-14(5-3-13)9-12(10-16)1-8-17-11-12/h10,15H,1-9,11H2.
What are the key properties of 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde?
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde has a molecular weight of 242.32 g/mol, XLogP of -0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 55051211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).