3-chloro-2-piperazin-1-ylphenol

C10H13ClN2O — CID 84679423

IUPAC3-chloro-2-piperazin-1-ylphenol
SMILESOc1cccc(Cl)c1N1CCNCC1
InChIInChI=1S/C10H13ClN2O/c11-8-2-1-3-9(14)10(8)13-6-4-12-5-7-13/h1-3,12,14H,4-7H2
InChIKeyOVPFFLNYIYLXLJ-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.46
Rot. Bonds1

About 3-chloro-2-piperazin-1-ylphenol

3-chloro-2-piperazin-1-ylphenol (PubChem CID 84679423) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 3-chloro-2-piperazin-1-ylphenol.

Molecular Properties

Compound Name3-chloro-2-piperazin-1-ylphenol
PubChem CID84679423
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name3-chloro-2-piperazin-1-ylphenol
SMILESOc1cccc(Cl)c1N1CCNCC1
InChIInChI=1S/C10H13ClN2O/c11-8-2-1-3-9(14)10(8)13-6-4-12-5-7-13/h1-3,12,14H,4-7H2
InChIKeyOVPFFLNYIYLXLJ-UHFFFAOYSA-N
XLogP1.46
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-piperazin-1-ylphenol?
The IUPAC name of 3-chloro-2-piperazin-1-ylphenol (CID 84679423) is 3-chloro-2-piperazin-1-ylphenol.
What is the SMILES notation for 3-chloro-2-piperazin-1-ylphenol?
The canonical SMILES for 3-chloro-2-piperazin-1-ylphenol is Oc1cccc(Cl)c1N1CCNCC1.
What is the InChIKey of 3-chloro-2-piperazin-1-ylphenol?
The InChIKey is OVPFFLNYIYLXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-8-2-1-3-9(14)10(8)13-6-4-12-5-7-13/h1-3,12,14H,4-7H2.
What are the key properties of 3-chloro-2-piperazin-1-ylphenol?
3-chloro-2-piperazin-1-ylphenol has a molecular weight of 212.68 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-piperazin-1-ylphenol is sourced from PubChem (CID 84679423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).