2-chloro-4-piperazin-1-ylphenol

C10H13ClN2O — CID 10420741

IUPAC2-chloro-4-piperazin-1-ylphenol
SMILESOc1ccc(N2CCNCC2)cc1Cl
InChIInChI=1S/C10H13ClN2O/c11-9-7-8(1-2-10(9)14)13-5-3-12-4-6-13/h1-2,7,12,14H,3-6H2
InChIKeyFXECOYYRPDGOQB-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.46
Rot. Bonds1

About 2-chloro-4-piperazin-1-ylphenol

2-chloro-4-piperazin-1-ylphenol (PubChem CID 10420741) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-4-piperazin-1-ylphenol.

Molecular Properties

Compound Name2-chloro-4-piperazin-1-ylphenol
PubChem CID10420741
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-chloro-4-piperazin-1-ylphenol
SMILESOc1ccc(N2CCNCC2)cc1Cl
InChIInChI=1S/C10H13ClN2O/c11-9-7-8(1-2-10(9)14)13-5-3-12-4-6-13/h1-2,7,12,14H,3-6H2
InChIKeyFXECOYYRPDGOQB-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 2-chloro-4-piperazin-1-ylphenol?
The IUPAC name of 2-chloro-4-piperazin-1-ylphenol (CID 10420741) is 2-chloro-4-piperazin-1-ylphenol.
What is the SMILES notation for 2-chloro-4-piperazin-1-ylphenol?
The canonical SMILES for 2-chloro-4-piperazin-1-ylphenol is Oc1ccc(N2CCNCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-piperazin-1-ylphenol?
The InChIKey is FXECOYYRPDGOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c11-9-7-8(1-2-10(9)14)13-5-3-12-4-6-13/h1-2,7,12,14H,3-6H2.
What are the key properties of 2-chloro-4-piperazin-1-ylphenol?
2-chloro-4-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 2-chloro-4-piperazin-1-ylphenol is sourced from PubChem (CID 10420741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).