4-chlorophenol;piperazine

C10H15ClN2O — CID 159117367

IUPAC4-chlorophenol;piperazine
SMILESC1CNCCN1.Oc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.C4H10N2/c7-5-1-3-6(8)4-2-5;1-2-6-4-3-5-1/h1-4,8H;5-6H,1-4H2
InChIKeyKFGHRRYJADBXCW-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.22
Rot. Bonds

About 4-chlorophenol;piperazine

4-chlorophenol;piperazine (PubChem CID 159117367) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 4-chlorophenol;piperazine.

Molecular Properties

Compound Name4-chlorophenol;piperazine
PubChem CID159117367
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name4-chlorophenol;piperazine
SMILESC1CNCCN1.Oc1ccc(Cl)cc1
InChIInChI=1S/C6H5ClO.C4H10N2/c7-5-1-3-6(8)4-2-5;1-2-6-4-3-5-1/h1-4,8H;5-6H,1-4H2
InChIKeyKFGHRRYJADBXCW-UHFFFAOYSA-N
XLogP1.22
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chlorophenol;piperazine?
The IUPAC name of 4-chlorophenol;piperazine (CID 159117367) is 4-chlorophenol;piperazine.
What is the SMILES notation for 4-chlorophenol;piperazine?
The canonical SMILES for 4-chlorophenol;piperazine is C1CNCCN1.Oc1ccc(Cl)cc1.
What is the InChIKey of 4-chlorophenol;piperazine?
The InChIKey is KFGHRRYJADBXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO.C4H10N2/c7-5-1-3-6(8)4-2-5;1-2-6-4-3-5-1/h1-4,8H;5-6H,1-4H2.
What are the key properties of 4-chlorophenol;piperazine?
4-chlorophenol;piperazine has a molecular weight of 214.70 g/mol, XLogP of 1.22, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorophenol;piperazine is sourced from PubChem (CID 159117367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).