2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]ethanol

C19H23ClN2O2 — CID 779240

IUPAC2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C19H23ClN2O2/c20-17-4-6-18(7-5-17)24-19-3-1-2-16(14-19)15-22-10-8-21(9-11-22)12-13-23/h1-7,14,23H,8-13,15H2
InChIKeyATKYHVZXULZCIR-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.24
Rot. Bonds6

About 2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]ethanol

2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]ethanol (PubChem CID 779240) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]ethanol
PubChem CID779240
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C19H23ClN2O2/c20-17-4-6-18(7-5-17)24-19-3-1-2-16(14-19)15-22-10-8-21(9-11-22)12-13-23/h1-7,14,23H,8-13,15H2
InChIKeyATKYHVZXULZCIR-UHFFFAOYSA-N
XLogP3.24
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]ethanol (CID 779240) is 2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]ethanol is OCCN1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]ethanol?
The InChIKey is ATKYHVZXULZCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c20-17-4-6-18(7-5-17)24-19-3-1-2-16(14-19)15-22-10-8-21(9-11-22)12-13-23/h1-7,14,23H,8-13,15H2.
What are the key properties of 2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]ethanol?
2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]ethanol has a molecular weight of 346.86 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 779240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).