1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone

C14H19FN2O — CID 110707809

IUPAC1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
SMILESCC1CN(C)CCN1C(=O)Cc1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-11-10-16(2)7-8-17(11)14(18)9-12-5-3-4-6-13(12)15/h3-6,11H,7-10H2,1-2H3
InChIKeyLTCZSEXQRCTOAV-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.53
Rot. Bonds2

About 1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone

1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone (PubChem CID 110707809) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
PubChem CID110707809
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
SMILESCC1CN(C)CCN1C(=O)Cc1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-11-10-16(2)7-8-17(11)14(18)9-12-5-3-4-6-13(12)15/h3-6,11H,7-10H2,1-2H3
InChIKeyLTCZSEXQRCTOAV-UHFFFAOYSA-N
XLogP1.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone
CID 38169510
2-(2-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 127119816
2-(4-chlorophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 110707760
2-(2-fluorophenyl)-1-(3,4,5-trimethylpiperazin-1-yl)ethanone
CID 110662366
2-(2-fluorophenyl)-1-[(2S)-4-[(3-methoxyphenyl)methyl]-2-methylpiperazin-1-yl]ethanone
CID 16671123
1-(2,4-dimethylpiperazin-1-yl)-2-phenoxyethanone
CID 110707763
2-(3-aminophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 114085754
(2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide
CID 95811272
2-(2,4-dimethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 71877586
2-(2-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone
CID 173160749
N-[2-(2,4-dimethylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 110741126
1-(2,4-dimethylpiperazin-1-yl)-2-(1-phenylpyrazol-4-yl)ethanone
CID 71877362

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone?
The IUPAC name of 1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone (CID 110707809) is 1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone?
The canonical SMILES for 1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone is CC1CN(C)CCN1C(=O)Cc1ccccc1F.
What is the InChIKey of 1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone?
The InChIKey is LTCZSEXQRCTOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-11-10-16(2)7-8-17(11)14(18)9-12-5-3-4-6-13(12)15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone?
1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone has a molecular weight of 250.32 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone is sourced from PubChem (CID 110707809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).