2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone

C14H18F2N2O2 — CID 119471466

IUPAC2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone
SMILESCC1CNCCN1C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H18F2N2O2/c1-10-9-17-6-7-18(10)13(19)8-11-2-4-12(5-3-11)20-14(15)16/h2-5,10,14,17H,6-9H2,1H3
InChIKeyBIWFBLMPWRUQMH-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.65
Rot. Bonds4

About 2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone

2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone (PubChem CID 119471466) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone
PubChem CID119471466
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone
SMILESCC1CNCCN1C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H18F2N2O2/c1-10-9-17-6-7-18(10)13(19)8-11-2-4-12(5-3-11)20-14(15)16/h2-5,10,14,17H,6-9H2,1H3
InChIKeyBIWFBLMPWRUQMH-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(difluoromethoxy)phenyl]-(2-methylpiperazin-1-yl)methanone
CID 62672938
2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119473269
2-(4-methoxyphenyl)-1-(2-methyl-1,4-diazepan-1-yl)ethanone
CID 82246398
2-(4-fluorophenyl)-1-(2-methyl-1,4-diazepan-1-yl)ethanone
CID 82244872
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 82705101
2-[4-(difluoromethoxy)phenyl]-N-pyrrolidin-3-ylacetamide
CID 119451451
3-(4-methylphenyl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 82705117
3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)propan-1-one
CID 82297474
1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 43170890
[1-[4-(difluoromethoxy)phenyl]-5-methyltriazol-4-yl]-(2-methylpiperazin-1-yl)methanone;hydrochloride
CID 119472670
1-(2-methylpiperazin-1-yl)-2-thiophen-3-ylethanone;hydrochloride
CID 71639491
3-(4-chlorophenyl)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 94993777

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone (CID 119471466) is 2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone is CC1CNCCN1C(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone?
The InChIKey is BIWFBLMPWRUQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-10-9-17-6-7-18(10)13(19)8-11-2-4-12(5-3-11)20-14(15)16/h2-5,10,14,17H,6-9H2,1H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone?
2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone has a molecular weight of 284.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-1-(2-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 119471466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).