2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone

C15H22FN3O — CID 146388962

IUPAC2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)C(c2ccccc2F)N(C)C)CC1
InChIInChI=1S/C15H22FN3O/c1-17(2)14(12-6-4-5-7-13(12)16)15(20)19-10-8-18(3)9-11-19/h4-7,14H,8-11H2,1-3H3
InChIKeyGPSJLMAWHIHYLV-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.20
Rot. Bonds3

About 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone

2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 146388962) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID146388962
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)C(c2ccccc2F)N(C)C)CC1
InChIInChI=1S/C15H22FN3O/c1-17(2)14(12-6-4-5-7-13(12)16)15(20)19-10-8-18(3)9-11-19/h4-7,14H,8-11H2,1-3H3
InChIKeyGPSJLMAWHIHYLV-UHFFFAOYSA-N
XLogP1.20
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 135253062
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 97133868
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 97206351
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 97196934
(2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 97192808
2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-(2-methyl-4-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 72853718
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
9-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148827
2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 72931057
2-amino-7-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136733923
2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110608314
ethyl 4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazine-1-carboxylate
CID 97124771

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone (CID 146388962) is 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)C(c2ccccc2F)N(C)C)CC1.
What is the InChIKey of 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is GPSJLMAWHIHYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-17(2)14(12-6-4-5-7-13(12)16)15(20)19-10-8-18(3)9-11-19/h4-7,14H,8-11H2,1-3H3.
What are the key properties of 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 279.36 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 146388962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).