4,5-dimethyl-2-piperazin-1-ylphenol

C12H18N2O — CID 82610692

IUPAC4,5-dimethyl-2-piperazin-1-ylphenol
SMILESCc1cc(O)c(N2CCNCC2)cc1C
InChIInChI=1S/C12H18N2O/c1-9-7-11(12(15)8-10(9)2)14-5-3-13-4-6-14/h7-8,13,15H,3-6H2,1-2H3
InChIKeyGGUAAHPANNZQIT-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.42
Rot. Bonds1

About 4,5-dimethyl-2-piperazin-1-ylphenol

4,5-dimethyl-2-piperazin-1-ylphenol (PubChem CID 82610692) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4,5-dimethyl-2-piperazin-1-ylphenol.

Molecular Properties

Compound Name4,5-dimethyl-2-piperazin-1-ylphenol
PubChem CID82610692
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4,5-dimethyl-2-piperazin-1-ylphenol
SMILESCc1cc(O)c(N2CCNCC2)cc1C
InChIInChI=1S/C12H18N2O/c1-9-7-11(12(15)8-10(9)2)14-5-3-13-4-6-14/h7-8,13,15H,3-6H2,1-2H3
InChIKeyGGUAAHPANNZQIT-UHFFFAOYSA-N
XLogP1.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol
CID 84800718
4-methyl-2,6-bis(1,4,7-triazonan-1-yl)phenol
CID 102312654
1-(4,5-dimethoxy-2-methylphenyl)piperazine
CID 82476463
1-(4,5-difluoro-2-methylphenyl)piperazine
CID 84782277
2,4-dimethyl-5-piperazin-1-ylaniline
CID 4738791
1-(4-chloro-3-fluoro-2,5-dimethylphenyl)piperazine
CID 84801852
(4-methyl-3-piperazin-1-ylphenyl)methanol
CID 84779191
1-(5-chloro-2-methylphenyl)piperazine
CID 693767
(4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone
CID 82266519
1-(3,4-dimethylphenyl)piperazine;hydrochloride
CID 56766536
1-(2-methoxy-4-methylphenyl)piperazine
CID 10488507
5-methyl-4-piperazin-1-yl-1H-pyrrol-2-amine
CID 131145902

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-piperazin-1-ylphenol?
The IUPAC name of 4,5-dimethyl-2-piperazin-1-ylphenol (CID 82610692) is 4,5-dimethyl-2-piperazin-1-ylphenol.
What is the SMILES notation for 4,5-dimethyl-2-piperazin-1-ylphenol?
The canonical SMILES for 4,5-dimethyl-2-piperazin-1-ylphenol is Cc1cc(O)c(N2CCNCC2)cc1C.
What is the InChIKey of 4,5-dimethyl-2-piperazin-1-ylphenol?
The InChIKey is GGUAAHPANNZQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-7-11(12(15)8-10(9)2)14-5-3-13-4-6-14/h7-8,13,15H,3-6H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-piperazin-1-ylphenol?
4,5-dimethyl-2-piperazin-1-ylphenol has a molecular weight of 206.29 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-piperazin-1-ylphenol is sourced from PubChem (CID 82610692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).