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

C15H21ClN2O2 — CID 120738227

IUPAC1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
SMILESCCOCCC(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-2-20-10-7-15(19)18-9-8-17-11-14(18)12-5-3-4-6-13(12)16/h3-6,14,17H,2,7-11H2,1H3
InChIKeyJNHKCGGQHJIRAE-UHFFFAOYSA-N
MW296.80 g/mol
LogP2.24
Rot. Bonds5

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

1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one (PubChem CID 120738227) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
PubChem CID120738227
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one
SMILESCCOCCC(=O)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-2-20-10-7-15(19)18-9-8-17-11-14(18)12-5-3-4-6-13(12)16/h3-6,14,17H,2,7-11H2,1H3
InChIKeyJNHKCGGQHJIRAE-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one;hydrochloride
CID 120738226
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120739374
1-[2-(2-chlorophenyl)piperazin-1-yl]hexan-1-one;hydrochloride
CID 120739229
1-[2-(2-chlorophenyl)piperazin-1-yl]-5-methoxypentan-1-one
CID 120739566
5-[2-(2-chlorophenyl)piperazin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride
CID 120738621
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(4-methoxyphenoxy)propan-1-one;hydrochloride
CID 120738747
4-[2-(2-chlorophenyl)piperazin-1-yl]-4-oxo-N-propylbutanamide;hydrochloride
CID 120738623
5-[2-(2-chlorophenyl)piperazin-1-yl]-N-ethyl-5-oxopentanamide;hydrochloride
CID 120739793
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 120738744
1-[2-(2-chlorophenyl)piperazin-1-yl]-4-methylsulfonylbutan-1-one;hydrochloride
CID 120739571
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
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-ethoxypropan-1-one?
The IUPAC name of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one (CID 120738227) is 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one.
What is the SMILES notation for 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one?
The canonical SMILES for 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one is CCOCCC(=O)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one?
The InChIKey is JNHKCGGQHJIRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-2-20-10-7-15(19)18-9-8-17-11-14(18)12-5-3-4-6-13(12)16/h3-6,14,17H,2,7-11H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one?
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-ethoxypropan-1-one has a molecular weight of 296.80 g/mol, XLogP of 2.24, 5 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-ethoxypropan-1-one is sourced from PubChem (CID 120738227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).