3-[2-(hydroxymethyl)piperazin-1-yl]prop-1-en-2-ol

C8H16N2O2 — CID 67260912

IUPAC3-[2-(hydroxymethyl)piperazin-1-yl]prop-1-en-2-ol
SMILESC=C(O)CN1CCNCC1CO
InChIInChI=1S/C8H16N2O2/c1-7(12)5-10-3-2-9-4-8(10)6-11/h8-9,11-12H,1-6H2
InChIKeyYUEBGPTYKBRNKA-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.68
Rot. Bonds3

About 3-[2-(hydroxymethyl)piperazin-1-yl]prop-1-en-2-ol

3-[2-(hydroxymethyl)piperazin-1-yl]prop-1-en-2-ol (PubChem CID 67260912) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-[2-(hydroxymethyl)piperazin-1-yl]prop-1-en-2-ol.

Molecular Properties

Compound Name3-[2-(hydroxymethyl)piperazin-1-yl]prop-1-en-2-ol
PubChem CID67260912
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-[2-(hydroxymethyl)piperazin-1-yl]prop-1-en-2-ol
SMILESC=C(O)CN1CCNCC1CO
InChIInChI=1S/C8H16N2O2/c1-7(12)5-10-3-2-9-4-8(10)6-11/h8-9,11-12H,1-6H2
InChIKeyYUEBGPTYKBRNKA-UHFFFAOYSA-N
XLogP-0.68
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-[2-(hydroxymethyl)piperazin-1-yl]prop-1-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(hydroxymethyl)piperazin-1-yl]prop-1-en-2-ol?
The IUPAC name of 3-[2-(hydroxymethyl)piperazin-1-yl]prop-1-en-2-ol (CID 67260912) is 3-[2-(hydroxymethyl)piperazin-1-yl]prop-1-en-2-ol.
What is the SMILES notation for 3-[2-(hydroxymethyl)piperazin-1-yl]prop-1-en-2-ol?
The canonical SMILES for 3-[2-(hydroxymethyl)piperazin-1-yl]prop-1-en-2-ol is C=C(O)CN1CCNCC1CO.
What is the InChIKey of 3-[2-(hydroxymethyl)piperazin-1-yl]prop-1-en-2-ol?
The InChIKey is YUEBGPTYKBRNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7(12)5-10-3-2-9-4-8(10)6-11/h8-9,11-12H,1-6H2.
What are the key properties of 3-[2-(hydroxymethyl)piperazin-1-yl]prop-1-en-2-ol?
3-[2-(hydroxymethyl)piperazin-1-yl]prop-1-en-2-ol has a molecular weight of 172.23 g/mol, XLogP of -0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(hydroxymethyl)piperazin-1-yl]prop-1-en-2-ol is sourced from PubChem (CID 67260912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).