2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol

C12H17ClN2O — CID 84800718

IUPAC2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol
SMILESCc1cc(N2CCNCC2)c(C)c(O)c1Cl
InChIInChI=1S/C12H17ClN2O/c1-8-7-10(9(2)12(16)11(8)13)15-5-3-14-4-6-15/h7,14,16H,3-6H2,1-2H3
InChIKeyDHXALMXFUHRKHP-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.07
Rot. Bonds1

About 2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol

2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol (PubChem CID 84800718) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol.

Molecular Properties

Compound Name2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol
PubChem CID84800718
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol
SMILESCc1cc(N2CCNCC2)c(C)c(O)c1Cl
InChIInChI=1S/C12H17ClN2O/c1-8-7-10(9(2)12(16)11(8)13)15-5-3-14-4-6-15/h7,14,16H,3-6H2,1-2H3
InChIKeyDHXALMXFUHRKHP-UHFFFAOYSA-N
XLogP2.07
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-fluoro-2,5-dimethylphenyl)piperazine
CID 84801852
4,5-dimethyl-2-piperazin-1-ylphenol
CID 82610692
3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol
CID 84802721
4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol
CID 102312654
2-chloro-3,5-dimethyl-6-(piperazin-1-ylmethyl)phenol
CID 117390249
1-(5-chloro-2-methylphenyl)piperazine
CID 693767
5,6-dimethyl-4-piperazin-1-ylpyridin-2-amine
CID 175106562
2-chloro-6-piperazin-1-ylphenol
CID 131297949
1-(4,5-difluoro-2-methylphenyl)piperazine
CID 84782277
1-(2-chloro-3,6-dimethylphenyl)piperazine
CID 84789887
2-chloro-3,6-dimethyl-4-piperidin-1-ylaniline
CID 91672020
4-chloro-3,5-dimethyl-2-(2-piperazin-1-ylethyl)phenol
CID 82265416

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol?
The IUPAC name of 2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol (CID 84800718) is 2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol.
What is the SMILES notation for 2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol?
The canonical SMILES for 2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol is Cc1cc(N2CCNCC2)c(C)c(O)c1Cl.
What is the InChIKey of 2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol?
The InChIKey is DHXALMXFUHRKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-8-7-10(9(2)12(16)11(8)13)15-5-3-14-4-6-15/h7,14,16H,3-6H2,1-2H3.
What are the key properties of 2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol?
2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol has a molecular weight of 240.73 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol is sourced from PubChem (CID 84800718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).