4-chloro-3-methyl-2-piperazin-1-ylphenol

C11H15ClN2O — CID 84791178

IUPAC4-chloro-3-methyl-2-piperazin-1-ylphenol
SMILESCc1c(Cl)ccc(O)c1N1CCNCC1
InChIInChI=1S/C11H15ClN2O/c1-8-9(12)2-3-10(15)11(8)14-6-4-13-5-7-14/h2-3,13,15H,4-7H2,1H3
InChIKeyNZJHVXGGTOWVBZ-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.76
Rot. Bonds1

About 4-chloro-3-methyl-2-piperazin-1-ylphenol

4-chloro-3-methyl-2-piperazin-1-ylphenol (PubChem CID 84791178) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-chloro-3-methyl-2-piperazin-1-ylphenol.

Molecular Properties

Compound Name4-chloro-3-methyl-2-piperazin-1-ylphenol
PubChem CID84791178
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-chloro-3-methyl-2-piperazin-1-ylphenol
SMILESCc1c(Cl)ccc(O)c1N1CCNCC1
InChIInChI=1S/C11H15ClN2O/c1-8-9(12)2-3-10(15)11(8)14-6-4-13-5-7-14/h2-3,13,15H,4-7H2,1H3
InChIKeyNZJHVXGGTOWVBZ-UHFFFAOYSA-N
XLogP1.76
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-piperazin-1-ylphenol
CID 84679423
4-chloro-3-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117390237
1-(2,6-dichloro-4-methylphenyl)piperazine
CID 166899180
3,7-dichloro-2,8-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236144
1-(2-chloro-3,6-dimethylphenyl)piperazine
CID 84789887
1-(3-chloro-2,6-dimethylphenyl)pyrrolidine
CID 168514195
1-(3-chloro-2-fluoro-6-methoxyphenyl)piperazine
CID 84802715
3-chloro-6-fluoro-4-methyl-2-piperazin-1-ylphenol
CID 84802721
4-bromo-2-fluoro-3-piperazin-1-ylphenol
CID 84810659
7-chloro-2-methyl-3-piperazin-1-yl-1H-indole
CID 82279937
2-chloro-3,6-dimethyl-5-piperazin-1-ylphenol
CID 84800718
2-chloro-6-piperazin-1-ylphenol
CID 131297949

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-2-piperazin-1-ylphenol?
The IUPAC name of 4-chloro-3-methyl-2-piperazin-1-ylphenol (CID 84791178) is 4-chloro-3-methyl-2-piperazin-1-ylphenol.
What is the SMILES notation for 4-chloro-3-methyl-2-piperazin-1-ylphenol?
The canonical SMILES for 4-chloro-3-methyl-2-piperazin-1-ylphenol is Cc1c(Cl)ccc(O)c1N1CCNCC1.
What is the InChIKey of 4-chloro-3-methyl-2-piperazin-1-ylphenol?
The InChIKey is NZJHVXGGTOWVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8-9(12)2-3-10(15)11(8)14-6-4-13-5-7-14/h2-3,13,15H,4-7H2,1H3.
What are the key properties of 4-chloro-3-methyl-2-piperazin-1-ylphenol?
4-chloro-3-methyl-2-piperazin-1-ylphenol has a molecular weight of 226.71 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-2-piperazin-1-ylphenol is sourced from PubChem (CID 84791178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).