2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol

C15H22Cl2N2O — CID 112539285

IUPAC2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol
SMILESCCN1CCN(C(CO)c2c(Cl)cccc2Cl)C(C)C1
InChIInChI=1S/C15H22Cl2N2O/c1-3-18-7-8-19(11(2)9-18)14(10-20)15-12(16)5-4-6-13(15)17/h4-6,11,14,20H,3,7-10H2,1-2H3
InChIKeyJMAKZCBLPUMZBT-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.05
Rot. Bonds4

About 2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol

2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol (PubChem CID 112539285) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol
PubChem CID112539285
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC Name2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol
SMILESCCN1CCN(C(CO)c2c(Cl)cccc2Cl)C(C)C1
InChIInChI=1S/C15H22Cl2N2O/c1-3-18-7-8-19(11(2)9-18)14(10-20)15-12(16)5-4-6-13(15)17/h4-6,11,14,20H,3,7-10H2,1-2H3
InChIKeyJMAKZCBLPUMZBT-UHFFFAOYSA-N
XLogP3.05
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)acetic acid
CID 83977850
2-(2,6-dichlorophenyl)-2-(2,4-diethylpiperazin-1-yl)ethanamine
CID 83977835
2-(3-chlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)acetonitrile
CID 112539251
2-(3-chloro-4-ethoxyphenyl)-2-(2-methyl-4-propylpiperazin-1-yl)ethanol
CID 112540365
2-(3-chloro-4-ethoxyphenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanamine
CID 83979851
2-(2,4-dimethylpiperazin-1-yl)-2-pyridin-2-ylethanol
CID 112540510
2-[4-(dimethylamino)phenyl]-2-(2-methyl-4-propylpiperazin-1-yl)ethanol
CID 112539318
2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 112539561
2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol
CID 112540464
2-(3-chlorophenyl)-2-[2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid
CID 83977772
2-(4-ethyl-2-methylpiperazin-1-yl)-2-pyridin-4-ylacetonitrile
CID 112540480
2-(3-chloro-4-propoxyphenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)acetonitrile
CID 112540314

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol (CID 112539285) is 2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol is CCN1CCN(C(CO)c2c(Cl)cccc2Cl)C(C)C1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol?
The InChIKey is JMAKZCBLPUMZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O/c1-3-18-7-8-19(11(2)9-18)14(10-20)15-12(16)5-4-6-13(15)17/h4-6,11,14,20H,3,7-10H2,1-2H3.
What are the key properties of 2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol?
2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol has a molecular weight of 317.26 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 112539285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).