1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone

C14H18ClFN2O — CID 136537667

IUPAC1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C14H18ClFN2O/c1-11(19)18-8-6-17(7-9-18)5-4-12-2-3-13(16)10-14(12)15/h2-3,10H,4-9H2,1H3
InChIKeyHGMWVYQKZGDJPE-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.19
Rot. Bonds3

About 1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone

1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone (PubChem CID 136537667) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone
PubChem CID136537667
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C14H18ClFN2O/c1-11(19)18-8-6-17(7-9-18)5-4-12-2-3-13(16)10-14(12)15/h2-3,10H,4-9H2,1H3
InChIKeyHGMWVYQKZGDJPE-UHFFFAOYSA-N
XLogP2.19
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[2-(2,4-dichlorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 113075198
ethyl 4-[2-(2,4-dichlorophenyl)ethyl]piperazine-1-carboxylate
CID 113075233
1-[(6S)-4-[(2-chloro-5-fluorophenyl)methyl]-6-hydroxy-1,4-diazepan-1-yl]ethanone
CID 97118625
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 19291067
3-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982448
(2R)-2-amino-1-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119853350
[4-(2-chloroethyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 63395300
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]-2-methylguanidine
CID 111569189
1-[4-[3-[[(2-chloro-4-fluorophenyl)methylamino]methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 45228706
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 17249551
4-[2-(2,4-dichlorophenyl)ethyl]-N-phenylpiperazine-1-carboxamide
CID 113075230
1-(2-chloro-4-fluorophenyl)-4-methylpentan-3-one
CID 43175852

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone (CID 136537667) is 1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is HGMWVYQKZGDJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-11(19)18-8-6-17(7-9-18)5-4-12-2-3-13(16)10-14(12)15/h2-3,10H,4-9H2,1H3.
What are the key properties of 1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone?
1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 284.76 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-chloro-4-fluorophenyl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 136537667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).