2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanol

C13H18ClFN2O — CID 757813

IUPAC2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C13H18ClFN2O/c14-12-2-1-3-13(15)11(12)10-17-6-4-16(5-7-17)8-9-18/h1-3,18H,4-10H2
InChIKeyUTKVLKAISOYNHN-UHFFFAOYSA-N
MW272.75 g/mol
LogP1.59
Rot. Bonds4

About 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanol

2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanol (PubChem CID 757813) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanol
PubChem CID757813
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C13H18ClFN2O/c14-12-2-1-3-13(15)11(12)10-17-6-4-16(5-7-17)8-9-18/h1-3,18H,4-10H2
InChIKeyUTKVLKAISOYNHN-UHFFFAOYSA-N
XLogP1.59
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanol (CID 757813) is 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanol is OCCN1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is UTKVLKAISOYNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c14-12-2-1-3-13(15)11(12)10-17-6-4-16(5-7-17)8-9-18/h1-3,18H,4-10H2.
What are the key properties of 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanol?
2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanol has a molecular weight of 272.75 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 757813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).