2-(4-chloro-2-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone

C14H19ClN2O2 — CID 774163

IUPAC2-(4-chloro-2-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1cc(Cl)ccc1OCC(=O)N1CCN(C)CC1
InChIInChI=1S/C14H19ClN2O2/c1-11-9-12(15)3-4-13(11)19-10-14(18)17-7-5-16(2)6-8-17/h3-4,9H,5-8,10H2,1-2H3
InChIKeyZFUVZMNCRFHSSC-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.80
Rot. Bonds3

About 2-(4-chloro-2-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone

2-(4-chloro-2-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 774163) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID774163
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-(4-chloro-2-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCc1cc(Cl)ccc1OCC(=O)N1CCN(C)CC1
InChIInChI=1S/C14H19ClN2O2/c1-11-9-12(15)3-4-13(11)19-10-14(18)17-7-5-16(2)6-8-17/h3-4,9H,5-8,10H2,1-2H3
InChIKeyZFUVZMNCRFHSSC-UHFFFAOYSA-N
XLogP1.80
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone (CID 774163) is 2-(4-chloro-2-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone is Cc1cc(Cl)ccc1OCC(=O)N1CCN(C)CC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is ZFUVZMNCRFHSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-11-9-12(15)3-4-13(11)19-10-14(18)17-7-5-16(2)6-8-17/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone?
2-(4-chloro-2-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 282.77 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 774163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).