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

C13H18ClFN2O — CID 2996922

IUPAC2-[1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESOCCC1CNCCN1Cc1c(F)cccc1Cl
InChIInChI=1S/C13H18ClFN2O/c14-12-2-1-3-13(15)11(12)9-17-6-5-16-8-10(17)4-7-18/h1-3,10,16,18H,4-9H2
InChIKeyXEVOTRDYGJQNRJ-UHFFFAOYSA-N
MW272.75 g/mol
LogP1.64
Rot. Bonds4

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

2-[1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 2996922) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol
PubChem CID2996922
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name2-[1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol
SMILESOCCC1CNCCN1Cc1c(F)cccc1Cl
InChIInChI=1S/C13H18ClFN2O/c14-12-2-1-3-13(15)11(12)9-17-6-5-16-8-10(17)4-7-18/h1-3,10,16,18H,4-9H2
InChIKeyXEVOTRDYGJQNRJ-UHFFFAOYSA-N
XLogP1.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol (CID 2996922) is 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol is OCCC1CNCCN1Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is XEVOTRDYGJQNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c14-12-2-1-3-13(15)11(12)9-17-6-5-16-8-10(17)4-7-18/h1-3,10,16,18H,4-9H2.
What are the key properties of 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol?
2-[1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 272.75 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-6-fluorophenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 2996922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).