2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone

C22H28FN3O — CID 110608314

IUPAC2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
SMILESCN(C)C(C(=O)N1CCN(CCc2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C22H28FN3O/c1-24(2)21(19-9-4-3-5-10-19)22(27)26-16-14-25(15-17-26)13-12-18-8-6-7-11-20(18)23/h3-11,21H,12-17H2,1-2H3
InChIKeyRRXHTEGAHXYRJP-UHFFFAOYSA-N
MW369.48 g/mol
LogP2.82
Rot. Bonds6

About 2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone

2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone (PubChem CID 110608314) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
PubChem CID110608314
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC Name2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
SMILESCN(C)C(C(=O)N1CCN(CCc2ccccc2F)CC1)c1ccccc1
InChIInChI=1S/C22H28FN3O/c1-24(2)21(19-9-4-3-5-10-19)22(27)26-16-14-25(15-17-26)13-12-18-8-6-7-11-20(18)23/h3-11,21H,12-17H2,1-2H3
InChIKeyRRXHTEGAHXYRJP-UHFFFAOYSA-N
XLogP2.82
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110412011
1-[4-[2-(dimethylamino)-2-phenylacetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110611656
1-(azetidin-1-yl)-2-(dimethylamino)-2-phenylethanone
CID 143781078
2-(dimethylamino)-2-(4-fluorophenyl)-1-[4-(2-pyrrol-1-ylethyl)piperazin-1-yl]ethanone
CID 72839193
2-[[4-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]piperazin-1-yl]methyl]benzonitrile
CID 97207144
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 97153883
2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 146388962
2-(4-fluorophenyl)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]ethanone
CID 110412042
2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone
CID 72933969
(2S)-2-(dimethylamino)-2-(3-fluorophenyl)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethanone
CID 97153427
[2-(dimethylamino)-3-pyridinyl]-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 110411350
(4-bromophenyl)-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 113074261

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone (CID 110608314) is 2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone is CN(C)C(C(=O)N1CCN(CCc2ccccc2F)CC1)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone?
The InChIKey is RRXHTEGAHXYRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-24(2)21(19-9-4-3-5-10-19)22(27)26-16-14-25(15-17-26)13-12-18-8-6-7-11-20(18)23/h3-11,21H,12-17H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone?
2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone has a molecular weight of 369.48 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 110608314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).