1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone

C17H23ClN2O3 — CID 120739766

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone
SMILESO=C(COCC1CCOC1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C17H23ClN2O3/c18-15-4-2-1-3-14(15)16-9-19-6-7-20(16)17(21)12-23-11-13-5-8-22-10-13/h1-4,13,16,19H,5-12H2
InChIKeySQZRIGCZVZFTGC-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.87
Rot. Bonds5

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone

1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone (PubChem CID 120739766) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone
PubChem CID120739766
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone
SMILESO=C(COCC1CCOC1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C17H23ClN2O3/c18-15-4-2-1-3-14(15)16-9-19-6-7-20(16)17(21)12-23-11-13-5-8-22-10-13/h1-4,13,16,19H,5-12H2
InChIKeySQZRIGCZVZFTGC-UHFFFAOYSA-N
XLogP1.87
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone with MolForge

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Related Compounds

2-(oxolan-3-ylmethoxy)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732408
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 120738227
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 120738744
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)ethanone;hydrochloride
CID 120739849
1-[2-(2-chlorophenyl)piperazin-1-yl]-5-methoxypentan-1-one
CID 120739566
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one;hydrochloride
CID 120738226
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(3-fluorophenoxy)ethanone;hydrochloride
CID 120739679
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 120739908

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone (CID 120739766) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone is O=C(COCC1CCOC1)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone?
The InChIKey is SQZRIGCZVZFTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c18-15-4-2-1-3-14(15)16-9-19-6-7-20(16)17(21)12-23-11-13-5-8-22-10-13/h1-4,13,16,19H,5-12H2.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone?
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone has a molecular weight of 338.84 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-3-ylmethoxy)ethanone is sourced from PubChem (CID 120739766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).