4-[2-(2-chloro-6-fluorophenyl)-2-piperazin-1-ylethyl]morpholine

C16H23ClFN3O — CID 83978451

IUPAC4-[2-(2-chloro-6-fluorophenyl)-2-piperazin-1-ylethyl]morpholine
SMILESFc1cccc(Cl)c1C(CN1CCOCC1)N1CCNCC1
InChIInChI=1S/C16H23ClFN3O/c17-13-2-1-3-14(18)16(13)15(21-6-4-19-5-7-21)12-20-8-10-22-11-9-20/h1-3,15,19H,4-12H2
InChIKeyXHTXWJKIZXHAGR-UHFFFAOYSA-N
MW327.83 g/mol
LogP1.76
Rot. Bonds4

About 4-[2-(2-chloro-6-fluorophenyl)-2-piperazin-1-ylethyl]morpholine

4-[2-(2-chloro-6-fluorophenyl)-2-piperazin-1-ylethyl]morpholine (PubChem CID 83978451) has the molecular formula C16H23ClFN3O and a molecular weight of 327.83 g/mol. Its IUPAC name is 4-[2-(2-chloro-6-fluorophenyl)-2-piperazin-1-ylethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-chloro-6-fluorophenyl)-2-piperazin-1-ylethyl]morpholine
PubChem CID83978451
Molecular FormulaC16H23ClFN3O
Molecular Weight327.83 g/mol
Exact Mass327.15
IUPAC Name4-[2-(2-chloro-6-fluorophenyl)-2-piperazin-1-ylethyl]morpholine
SMILESFc1cccc(Cl)c1C(CN1CCOCC1)N1CCNCC1
InChIInChI=1S/C16H23ClFN3O/c17-13-2-1-3-14(18)16(13)15(21-6-4-19-5-7-21)12-20-8-10-22-11-9-20/h1-3,15,19H,4-12H2
InChIKeyXHTXWJKIZXHAGR-UHFFFAOYSA-N
XLogP1.76
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(2-chloro-6-fluorophenyl)-3,3,3-trifluoropropyl]piperazine
CID 171163175
1-[(1S)-1-(2-chloro-6-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171274071
1-[(1S)-1-(2,6-difluorophenyl)-2-fluoroethyl]piperazine
CID 171181869
1-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171163132
1-[(1S)-1-(2-chloro-6-fluorophenyl)hept-6-enyl]piperazine;hydrochloride
CID 171163168
4-[2-(4-tert-butylphenyl)-2-piperazin-1-ylethyl]morpholine
CID 83978634
1-[(1S)-1-(2,6-dichlorophenyl)-3-fluoropropyl]piperazine
CID 171162697
(2R)-2-(2,6-difluorophenyl)-2-piperazin-1-ylethanol
CID 171174339
4-[(1R)-1-(4-fluorophenyl)-2-morpholin-4-ylethyl]morpholine
CID 95988041
1-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyrrolidin-3-amine
CID 82038574
1-[(1S)-1-(2-chloro-6-fluorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171274073
2-(2-chloro-6-fluorophenyl)-2-[4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 112539561

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)-2-piperazin-1-ylethyl]morpholine?
The IUPAC name of 4-[2-(2-chloro-6-fluorophenyl)-2-piperazin-1-ylethyl]morpholine (CID 83978451) is 4-[2-(2-chloro-6-fluorophenyl)-2-piperazin-1-ylethyl]morpholine.
What is the SMILES notation for 4-[2-(2-chloro-6-fluorophenyl)-2-piperazin-1-ylethyl]morpholine?
The canonical SMILES for 4-[2-(2-chloro-6-fluorophenyl)-2-piperazin-1-ylethyl]morpholine is Fc1cccc(Cl)c1C(CN1CCOCC1)N1CCNCC1.
What is the InChIKey of 4-[2-(2-chloro-6-fluorophenyl)-2-piperazin-1-ylethyl]morpholine?
The InChIKey is XHTXWJKIZXHAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClFN3O/c17-13-2-1-3-14(18)16(13)15(21-6-4-19-5-7-21)12-20-8-10-22-11-9-20/h1-3,15,19H,4-12H2.
What are the key properties of 4-[2-(2-chloro-6-fluorophenyl)-2-piperazin-1-ylethyl]morpholine?
4-[2-(2-chloro-6-fluorophenyl)-2-piperazin-1-ylethyl]morpholine has a molecular weight of 327.83 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-6-fluorophenyl)-2-piperazin-1-ylethyl]morpholine is sourced from PubChem (CID 83978451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).