4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol

C18H20Cl2N2O2 — CID 8690234

IUPAC4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CCOc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C18H20Cl2N2O2/c19-16-2-1-3-17(20)18(16)24-13-12-21-8-10-22(11-9-21)14-4-6-15(23)7-5-14/h1-7,23H,8-13H2
InChIKeyLPTMPIIZSRWCML-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.90
Rot. Bonds5

About 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol

4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol (PubChem CID 8690234) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol
PubChem CID8690234
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(CCOc3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C18H20Cl2N2O2/c19-16-2-1-3-17(20)18(16)24-13-12-21-8-10-22(11-9-21)14-4-6-15(23)7-5-14/h1-7,23H,8-13H2
InChIKeyLPTMPIIZSRWCML-UHFFFAOYSA-N
XLogP3.90
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol
CID 8691218
3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22442061
1-[2-[2-(2,6-dichlorophenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 30075930
4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine
CID 36931838
1-[2-(2,6-dichlorophenoxy)ethyl]-1,4-diazepane
CID 43162548
1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine
CID 65249570
1-(2,6-dichlorophenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 4024808
3-[4-(4-hydroxyphenyl)piperazin-1-yl]propanoic acid
CID 134069455
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
3-[4-(2-fluoroethyl)piperazin-1-yl]phenol
CID 11206864
[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063405
N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide
CID 33104635

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol?
The IUPAC name of 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol (CID 8690234) is 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol is Oc1ccc(N2CCN(CCOc3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol?
The InChIKey is LPTMPIIZSRWCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c19-16-2-1-3-17(20)18(16)24-13-12-21-8-10-22(11-9-21)14-4-6-15(23)7-5-14/h1-7,23H,8-13H2.
What are the key properties of 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol?
4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol has a molecular weight of 367.28 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]phenol is sourced from PubChem (CID 8690234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).