(2,4-dichloro-5-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C13H15Cl2FN2O2 — CID 43393315

IUPAC(2,4-dichloro-5-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(F)c(Cl)cc1Cl)N1CCN(CCO)CC1
InChIInChI=1S/C13H15Cl2FN2O2/c14-10-8-11(15)12(16)7-9(10)13(20)18-3-1-17(2-4-18)5-6-19/h7-8,19H,1-6H2
InChIKeyGNAJTAABWOVDCT-UHFFFAOYSA-N
MW321.18 g/mol
LogP1.88
Rot. Bonds3

About (2,4-dichloro-5-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(2,4-dichloro-5-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 43393315) has the molecular formula C13H15Cl2FN2O2 and a molecular weight of 321.18 g/mol. Its IUPAC name is (2,4-dichloro-5-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichloro-5-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID43393315
Molecular FormulaC13H15Cl2FN2O2
Molecular Weight321.18 g/mol
Exact Mass320.05
IUPAC Name(2,4-dichloro-5-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(F)c(Cl)cc1Cl)N1CCN(CCO)CC1
InChIInChI=1S/C13H15Cl2FN2O2/c14-10-8-11(15)12(16)7-9(10)13(20)18-3-1-17(2-4-18)5-6-19/h7-8,19H,1-6H2
InChIKeyGNAJTAABWOVDCT-UHFFFAOYSA-N
XLogP1.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-5-hydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 106501434
(3,5-dichloro-2-iodophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43391607
(2-chloro-5-sulfanylphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107226673
[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(furan-3-yl)methanone
CID 32532621
(2,4-dichloro-5-fluorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371519
(2-chloro-3-fluorophenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 81461505
(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 875976
[4-(2-chloroethyl)piperazin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 63395300
(2,3-difluoro-4-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 105380406
(4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 82772045
[4-(2,4-dichloro-5-fluorobenzoyl)piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 52719292
(2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43416246

Frequently Asked Questions

What is the IUPAC name of (2,4-dichloro-5-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-dichloro-5-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 43393315) is (2,4-dichloro-5-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-dichloro-5-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-dichloro-5-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(c1cc(F)c(Cl)cc1Cl)N1CCN(CCO)CC1.
What is the InChIKey of (2,4-dichloro-5-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is GNAJTAABWOVDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2FN2O2/c14-10-8-11(15)12(16)7-9(10)13(20)18-3-1-17(2-4-18)5-6-19/h7-8,19H,1-6H2.
What are the key properties of (2,4-dichloro-5-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(2,4-dichloro-5-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 321.18 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloro-5-fluorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 43393315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).