3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one

C14H19ClN2O2 — CID 55085396

IUPAC3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one
SMILESCc1cc(Cl)ccc1OCCC(=O)N1CCNCC1
InChIInChI=1S/C14H19ClN2O2/c1-11-10-12(15)2-3-13(11)19-9-4-14(18)17-7-5-16-6-8-17/h2-3,10,16H,4-9H2,1H3
InChIKeyJWWVQLBJULATCO-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.85
Rot. Bonds4

About 3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one

3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one (PubChem CID 55085396) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one
PubChem CID55085396
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one
SMILESCc1cc(Cl)ccc1OCCC(=O)N1CCNCC1
InChIInChI=1S/C14H19ClN2O2/c1-11-10-12(15)2-3-13(11)19-9-4-14(18)17-7-5-16-6-8-17/h2-3,10,16H,4-9H2,1H3
InChIKeyJWWVQLBJULATCO-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

4-(4-chloro-2-methylphenoxy)-1-(4-methylpiperazin-1-yl)butan-1-one
CID 2082722
(4-chloro-2-methylphenyl) piperazine-1-carboxylate
CID 82298956
1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine
CID 5154793
2-(4-chloro-2-methylphenyl)-1-piperazin-1-ylethanone
CID 82511847
4-(4-chloro-2-methylphenoxy)-1-[4-(3-chlorophenyl)piperazin-1-yl]butan-1-one
CID 2095510
3-(2,4-dimethylphenoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119578824
1-piperazin-1-yl-3-(2,4,6-trichlorophenoxy)propan-1-one
CID 62544265
3-(2-tert-butyl-4-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39306106
3-(3,4-dimethylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39257182
1-(azocan-1-yl)-3-(2,4-dimethylphenoxy)propan-1-one
CID 55575535
4-(2-methylphenoxy)-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403750
4-(5-chloro-2-ethoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 83933257

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one (CID 55085396) is 3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one is Cc1cc(Cl)ccc1OCCC(=O)N1CCNCC1.
What is the InChIKey of 3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one?
The InChIKey is JWWVQLBJULATCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-11-10-12(15)2-3-13(11)19-9-4-14(18)17-7-5-16-6-8-17/h2-3,10,16H,4-9H2,1H3.
What are the key properties of 3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one?
3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-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 3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 55085396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).