1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3-hydroxyoxan-3-yl)ethanone

C17H22Cl2N2O3 — CID 166381429

IUPAC1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3-hydroxyoxan-3-yl)ethanone
SMILESO=C(CC1(O)CCCOC1)N1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H22Cl2N2O3/c18-13-2-3-15(14(19)10-13)20-5-7-21(8-6-20)16(22)11-17(23)4-1-9-24-12-17/h2-3,10,23H,1,4-9,11-12H2
InChIKeyGYPOSIMQRJOXRM-UHFFFAOYSA-N
MW373.28 g/mol
LogP2.57
Rot. Bonds3

About 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3-hydroxyoxan-3-yl)ethanone

1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3-hydroxyoxan-3-yl)ethanone (PubChem CID 166381429) has the molecular formula C17H22Cl2N2O3 and a molecular weight of 373.28 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3-hydroxyoxan-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3-hydroxyoxan-3-yl)ethanone
PubChem CID166381429
Molecular FormulaC17H22Cl2N2O3
Molecular Weight373.28 g/mol
Exact Mass372.10
IUPAC Name1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3-hydroxyoxan-3-yl)ethanone
SMILESO=C(CC1(O)CCCOC1)N1CCN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H22Cl2N2O3/c18-13-2-3-15(14(19)10-13)20-5-7-21(8-6-20)16(22)11-17(23)4-1-9-24-12-17/h2-3,10,23H,1,4-9,11-12H2
InChIKeyGYPOSIMQRJOXRM-UHFFFAOYSA-N
XLogP2.57
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113080191
1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2-fluorophenyl)methoxy]ethanone
CID 24763607
1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113080214
2-(1-hydroxycyclopentyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 111430178
chlorobenzene;1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-ethoxyethanone;ethane
CID 143238120
1-(3-chloro-4-morpholin-4-ylphenyl)cyclobutan-1-amine
CID 117420865
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(2,4-dichlorophenyl)propan-1-one
CID 90872728
N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide
CID 25239469
2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 2437970
1-[4-(4-chloro-2-methylphenyl)piperazin-1-yl]-3-piperidin-3-ylpropan-1-one
CID 143237535
1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-[(2,4-difluorophenyl)methoxy]ethanone
CID 24763608
3-(2,4-dichloroanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029884

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3-hydroxyoxan-3-yl)ethanone?
The IUPAC name of 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3-hydroxyoxan-3-yl)ethanone (CID 166381429) is 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3-hydroxyoxan-3-yl)ethanone.
What is the SMILES notation for 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3-hydroxyoxan-3-yl)ethanone?
The canonical SMILES for 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3-hydroxyoxan-3-yl)ethanone is O=C(CC1(O)CCCOC1)N1CCN(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3-hydroxyoxan-3-yl)ethanone?
The InChIKey is GYPOSIMQRJOXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N2O3/c18-13-2-3-15(14(19)10-13)20-5-7-21(8-6-20)16(22)11-17(23)4-1-9-24-12-17/h2-3,10,23H,1,4-9,11-12H2.
What are the key properties of 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3-hydroxyoxan-3-yl)ethanone?
1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3-hydroxyoxan-3-yl)ethanone has a molecular weight of 373.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichlorophenyl)piperazin-1-yl]-2-(3-hydroxyoxan-3-yl)ethanone is sourced from PubChem (CID 166381429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).