3-piperazin-1-ylprop-1-en-1-ol

C7H14N2O — CID 66821301

IUPAC3-piperazin-1-ylprop-1-en-1-ol
SMILESOC=CCN1CCNCC1
InChIInChI=1S/C7H14N2O/c10-7-1-4-9-5-2-8-3-6-9/h1,7-8,10H,2-6H2
InChIKeyIGZMVHLESWYXIY-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.04
Rot. Bonds2

About 3-piperazin-1-ylprop-1-en-1-ol

3-piperazin-1-ylprop-1-en-1-ol (PubChem CID 66821301) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-piperazin-1-ylprop-1-en-1-ol.

Molecular Properties

Compound Name3-piperazin-1-ylprop-1-en-1-ol
PubChem CID66821301
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-piperazin-1-ylprop-1-en-1-ol
SMILESOC=CCN1CCNCC1
InChIInChI=1S/C7H14N2O/c10-7-1-4-9-5-2-8-3-6-9/h1,7-8,10H,2-6H2
InChIKeyIGZMVHLESWYXIY-UHFFFAOYSA-N
XLogP-0.04
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-en-1-ol?
The IUPAC name of 3-piperazin-1-ylprop-1-en-1-ol (CID 66821301) is 3-piperazin-1-ylprop-1-en-1-ol.
What is the SMILES notation for 3-piperazin-1-ylprop-1-en-1-ol?
The canonical SMILES for 3-piperazin-1-ylprop-1-en-1-ol is OC=CCN1CCNCC1.
What is the InChIKey of 3-piperazin-1-ylprop-1-en-1-ol?
The InChIKey is IGZMVHLESWYXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c10-7-1-4-9-5-2-8-3-6-9/h1,7-8,10H,2-6H2.
What are the key properties of 3-piperazin-1-ylprop-1-en-1-ol?
3-piperazin-1-ylprop-1-en-1-ol has a molecular weight of 142.20 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylprop-1-en-1-ol is sourced from PubChem (CID 66821301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).