4-(3-hydroxypropyl)piperazine-1-carbaldehyde

C8H16N2O2 — CID 22490031

IUPAC4-(3-hydroxypropyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(CCCO)CC1
InChIInChI=1S/C8H16N2O2/c11-7-1-2-9-3-5-10(8-12)6-4-9/h8,11H,1-7H2
InChIKeyRLWWLTGLDWNCLS-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.86
Rot. Bonds4

About 4-(3-hydroxypropyl)piperazine-1-carbaldehyde

4-(3-hydroxypropyl)piperazine-1-carbaldehyde (PubChem CID 22490031) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(3-hydroxypropyl)piperazine-1-carbaldehyde
PubChem CID22490031
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-(3-hydroxypropyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(CCCO)CC1
InChIInChI=1S/C8H16N2O2/c11-7-1-2-9-3-5-10(8-12)6-4-9/h8,11H,1-7H2
InChIKeyRLWWLTGLDWNCLS-UHFFFAOYSA-N
XLogP-0.86
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.86
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-(3-hydroxypropyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(3-hydroxypropyl)piperazine-1-carbaldehyde (CID 22490031) is 4-(3-hydroxypropyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(3-hydroxypropyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(3-hydroxypropyl)piperazine-1-carbaldehyde is O=CN1CCN(CCCO)CC1.
What is the InChIKey of 4-(3-hydroxypropyl)piperazine-1-carbaldehyde?
The InChIKey is RLWWLTGLDWNCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c11-7-1-2-9-3-5-10(8-12)6-4-9/h8,11H,1-7H2.
What are the key properties of 4-(3-hydroxypropyl)piperazine-1-carbaldehyde?
4-(3-hydroxypropyl)piperazine-1-carbaldehyde has a molecular weight of 172.23 g/mol, XLogP of -0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 22490031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).