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

C14H20ClFN2O — CID 45176283

IUPAC2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(Cc2ccc(F)cc2Cl)CC1CCO
InChIInChI=1S/C14H20ClFN2O/c1-17-5-6-18(10-13(17)4-7-19)9-11-2-3-12(16)8-14(11)15/h2-3,8,13,19H,4-7,9-10H2,1H3
InChIKeySFKPLDOPQHOBPL-UHFFFAOYSA-N
MW286.78 g/mol
LogP1.98
Rot. Bonds4

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

2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol (PubChem CID 45176283) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol
PubChem CID45176283
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(Cc2ccc(F)cc2Cl)CC1CCO
InChIInChI=1S/C14H20ClFN2O/c1-17-5-6-18(10-13(17)4-7-19)9-11-2-3-12(16)8-14(11)15/h2-3,8,13,19H,4-7,9-10H2,1H3
InChIKeySFKPLDOPQHOBPL-UHFFFAOYSA-N
XLogP1.98
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 51.98
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-4-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol (CID 45176283) is 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol is CN1CCN(Cc2ccc(F)cc2Cl)CC1CCO.
What is the InChIKey of 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol?
The InChIKey is SFKPLDOPQHOBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2O/c1-17-5-6-18(10-13(17)4-7-19)9-11-2-3-12(16)8-14(11)15/h2-3,8,13,19H,4-7,9-10H2,1H3.
What are the key properties of 2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol?
2-[4-[(2-chloro-4-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol has a molecular weight of 286.78 g/mol, XLogP of 1.98, 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-4-fluorophenyl)methyl]-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 45176283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).