3-piperazin-1-ylprop-1-ene-1,3-diol

C7H14N2O2 — CID 66959069

IUPAC3-piperazin-1-ylprop-1-ene-1,3-diol
SMILESOC=CC(O)N1CCNCC1
InChIInChI=1S/C7H14N2O2/c10-6-1-7(11)9-4-2-8-3-5-9/h1,6-8,10-11H,2-5H2
InChIKeyIBHABFYSQPTERF-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.72
Rot. Bonds2

About 3-piperazin-1-ylprop-1-ene-1,3-diol

3-piperazin-1-ylprop-1-ene-1,3-diol (PubChem CID 66959069) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 3-piperazin-1-ylprop-1-ene-1,3-diol.

Molecular Properties

Compound Name3-piperazin-1-ylprop-1-ene-1,3-diol
PubChem CID66959069
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name3-piperazin-1-ylprop-1-ene-1,3-diol
SMILESOC=CC(O)N1CCNCC1
InChIInChI=1S/C7H14N2O2/c10-6-1-7(11)9-4-2-8-3-5-9/h1,6-8,10-11H,2-5H2
InChIKeyIBHABFYSQPTERF-UHFFFAOYSA-N
XLogP-0.72
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylprop-1-ene-1,3-diol?
The IUPAC name of 3-piperazin-1-ylprop-1-ene-1,3-diol (CID 66959069) is 3-piperazin-1-ylprop-1-ene-1,3-diol.
What is the SMILES notation for 3-piperazin-1-ylprop-1-ene-1,3-diol?
The canonical SMILES for 3-piperazin-1-ylprop-1-ene-1,3-diol is OC=CC(O)N1CCNCC1.
What is the InChIKey of 3-piperazin-1-ylprop-1-ene-1,3-diol?
The InChIKey is IBHABFYSQPTERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c10-6-1-7(11)9-4-2-8-3-5-9/h1,6-8,10-11H,2-5H2.
What are the key properties of 3-piperazin-1-ylprop-1-ene-1,3-diol?
3-piperazin-1-ylprop-1-ene-1,3-diol has a molecular weight of 158.20 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylprop-1-ene-1,3-diol is sourced from PubChem (CID 66959069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).