2-(2,3-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one

C15H18Cl2N2O2 — CID 173225845

IUPAC2-(2,3-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one
SMILESC=C(C(=O)N1CCN(CCO)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H18Cl2N2O2/c1-11(12-3-2-4-13(16)14(12)17)15(21)19-7-5-18(6-8-19)9-10-20/h2-4,20H,1,5-10H2
InChIKeyAWFAWWMHUJTOQC-UHFFFAOYSA-N
MW329.23 g/mol
LogP2.14
Rot. Bonds4

About 2-(2,3-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one

2-(2,3-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one (PubChem CID 173225845) has the molecular formula C15H18Cl2N2O2 and a molecular weight of 329.23 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one
PubChem CID173225845
Molecular FormulaC15H18Cl2N2O2
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name2-(2,3-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one
SMILESC=C(C(=O)N1CCN(CCO)CC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H18Cl2N2O2/c1-11(12-3-2-4-13(16)14(12)17)15(21)19-7-5-18(6-8-19)9-10-20/h2-4,20H,1,5-10H2
InChIKeyAWFAWWMHUJTOQC-UHFFFAOYSA-N
XLogP2.14
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2,3-dichlorophenyl)-[4-[2-[(R)-methylsulfinyl]ethyl]piperazin-1-yl]methanone
CID 95775773
(2-chloro-3-fluorophenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 81461505
(3-amino-2-chlorophenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210160
(2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 114343978
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
(2-chloro-5-hydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 106501434
2-[4-(2,3-dichlorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62825146
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706
[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 111758263
2-chloro-N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 78800152
[4-(2-hydroxyethyl)piperazin-1-yl]-(1H-indazol-4-yl)methanone
CID 110468728
1-(2,3-dichlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-one
CID 114079724

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one (CID 173225845) is 2-(2,3-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one is C=C(C(=O)N1CCN(CCO)CC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one?
The InChIKey is AWFAWWMHUJTOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2/c1-11(12-3-2-4-13(16)14(12)17)15(21)19-7-5-18(6-8-19)9-10-20/h2-4,20H,1,5-10H2.
What are the key properties of 2-(2,3-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one?
2-(2,3-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one has a molecular weight of 329.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 173225845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).