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

C16H24ClFN2O — CID 112539561

IUPAC2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
SMILESCC(C)CN1CCN(C(CO)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C16H24ClFN2O/c1-12(2)10-19-6-8-20(9-7-19)15(11-21)16-13(17)4-3-5-14(16)18/h3-5,12,15,21H,6-11H2,1-2H3
InChIKeyVYMQSRLJRPGCDS-UHFFFAOYSA-N
MW314.83 g/mol
LogP2.79
Rot. Bonds5

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

2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol (PubChem CID 112539561) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
PubChem CID112539561
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
SMILESCC(C)CN1CCN(C(CO)c2c(F)cccc2Cl)CC1
InChIInChI=1S/C16H24ClFN2O/c1-12(2)10-19-6-8-20(9-7-19)15(11-21)16-13(17)4-3-5-14(16)18/h3-5,12,15,21H,6-11H2,1-2H3
InChIKeyVYMQSRLJRPGCDS-UHFFFAOYSA-N
XLogP2.79
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanamine
CID 62778142
2-(4-methylphenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 112539542
2-(2-chloro-6-fluorophenyl)-N-methyl-2-(4-methylpiperazin-1-yl)ethanamine
CID 22692556
2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 16789934
4-[2-(2-chloro-6-fluorophenyl)-2-piperazin-1-ylethyl]morpholine
CID 83978451
(2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol
CID 171174339
1-(2,6-difluorophenyl)-2-[4-(1-sulfanylethyl)piperazin-1-yl]ethanol
CID 126759659
2-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-1,1,3,3-tetramethylguanidine
CID 111054485
2-(2-chloro-6-fluorophenyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 63157457
2-(2-chloro-6-fluorophenyl)-2-(2-methylpropylamino)ethanol
CID 61054951
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2-cyclopropylpropanamide
CID 110623996
ethyl 3-(2-chloro-6-fluorophenyl)-3-piperidin-1-ylpropanoate
CID 64540330

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol (CID 112539561) is 2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol is CC(C)CN1CCN(C(CO)c2c(F)cccc2Cl)CC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
The InChIKey is VYMQSRLJRPGCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFN2O/c1-12(2)10-19-6-8-20(9-7-19)15(11-21)16-13(17)4-3-5-14(16)18/h3-5,12,15,21H,6-11H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol?
2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol has a molecular weight of 314.83 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 112539561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).