5-(hydroxymethyl)piperazine-2-carbaldehyde

C6H12N2O2 — CID 174573198

IUPAC5-(hydroxymethyl)piperazine-2-carbaldehyde
SMILESO=CC1CNC(CO)CN1
InChIInChI=1S/C6H12N2O2/c9-3-5-1-7-6(4-10)2-8-5/h3,5-8,10H,1-2,4H2
InChIKeyUAJMTUOPRSQTOH-UHFFFAOYSA-N
MW144.17 g/mol
LogP-1.89
Rot. Bonds2

About 5-(hydroxymethyl)piperazine-2-carbaldehyde

5-(hydroxymethyl)piperazine-2-carbaldehyde (PubChem CID 174573198) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 5-(hydroxymethyl)piperazine-2-carbaldehyde.

Molecular Properties

Compound Name5-(hydroxymethyl)piperazine-2-carbaldehyde
PubChem CID174573198
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name5-(hydroxymethyl)piperazine-2-carbaldehyde
SMILESO=CC1CNC(CO)CN1
InChIInChI=1S/C6H12N2O2/c9-3-5-1-7-6(4-10)2-8-5/h3,5-8,10H,1-2,4H2
InChIKeyUAJMTUOPRSQTOH-UHFFFAOYSA-N
XLogP-1.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
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 5-(hydroxymethyl)piperazine-2-carbaldehyde?
The IUPAC name of 5-(hydroxymethyl)piperazine-2-carbaldehyde (CID 174573198) is 5-(hydroxymethyl)piperazine-2-carbaldehyde.
What is the SMILES notation for 5-(hydroxymethyl)piperazine-2-carbaldehyde?
The canonical SMILES for 5-(hydroxymethyl)piperazine-2-carbaldehyde is O=CC1CNC(CO)CN1.
What is the InChIKey of 5-(hydroxymethyl)piperazine-2-carbaldehyde?
The InChIKey is UAJMTUOPRSQTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c9-3-5-1-7-6(4-10)2-8-5/h3,5-8,10H,1-2,4H2.
What are the key properties of 5-(hydroxymethyl)piperazine-2-carbaldehyde?
5-(hydroxymethyl)piperazine-2-carbaldehyde has a molecular weight of 144.17 g/mol, XLogP of -1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)piperazine-2-carbaldehyde is sourced from PubChem (CID 174573198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).