1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one

C14H19ClN2O2 — CID 120739374

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-19-9-6-14(18)17-8-7-16-10-13(17)11-4-2-3-5-12(11)15/h2-5,13,16H,6-10H2,1H3
InChIKeyVTQAUTCAJGRFMP-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.85
Rot. Bonds4

About 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one

1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one (PubChem CID 120739374) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
PubChem CID120739374
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-19-9-6-14(18)17-8-7-16-10-13(17)11-4-2-3-5-12(11)15/h2-5,13,16H,6-10H2,1H3
InChIKeyVTQAUTCAJGRFMP-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-chlorophenyl)piperazin-1-yl]-5-methoxypentan-1-one
CID 120739566
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
CID 120738227
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one;hydrochloride
CID 120738226
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 120738747
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 120738744
5-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride
CID 120738621
1-[2-(2-chlorophenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120739571
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2,6-dimethoxyphenyl)ethanone
CID 120739742
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
N-[3-[2-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-phenylacetamide
CID 120738732
N-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 120739448

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one (CID 120739374) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one?
The InChIKey is VTQAUTCAJGRFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-19-9-6-14(18)17-8-7-16-10-13(17)11-4-2-3-5-12(11)15/h2-5,13,16H,6-10H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one?
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one has a molecular weight of 282.77 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 120739374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).