2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone

C19H21FN2O — CID 38169510

IUPAC2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone
SMILESCN1CCN(C(=O)Cc2ccccc2F)[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H21FN2O/c1-21-11-12-22(18(14-21)15-7-3-2-4-8-15)19(23)13-16-9-5-6-10-17(16)20/h2-10,18H,11-14H2,1H3/t18-/m1/s1
InChIKeyMHMFEPYZUALXDP-GOSISDBHSA-N
MW312.39 g/mol
LogP2.88
Rot. Bonds3

About 2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone

2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone (PubChem CID 38169510) has the molecular formula C19H21FN2O and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone
PubChem CID38169510
Molecular FormulaC19H21FN2O
Molecular Weight312.39 g/mol
Exact Mass312.16
IUPAC Name2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone
SMILESCN1CCN(C(=O)Cc2ccccc2F)[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H21FN2O/c1-21-11-12-22(18(14-21)15-7-3-2-4-8-15)19(23)13-16-9-5-6-10-17(16)20/h2-10,18H,11-14H2,1H3/t18-/m1/s1
InChIKeyMHMFEPYZUALXDP-GOSISDBHSA-N
XLogP2.88
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dimethylpiperazin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110707809
2-(2-fluorophenyl)-1-(3-phenylmorpholin-4-yl)ethanone
CID 110728374
2-(2,5-dimethoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)ethanone
CID 78822334
1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-4-phenylbutane-1,4-dione
CID 51926961
1-(2,4-difluorophenyl)-4-(4-methyl-2-phenylpiperazin-1-yl)butane-1,4-dione
CID 71891108
2-(2-fluorophenyl)-1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 155796275
(2R)-N-[2-(5-bromo-2-fluorophenyl)ethyl]-4-methyl-2-phenylpiperazine-1-carboxamide
CID 95680010
(4-fluorophenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332392
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one
CID 82846107
1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 124964959
2,4-dimethyl-5-[2-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136870617

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone (CID 38169510) is 2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone is CN1CCN(C(=O)Cc2ccccc2F)[C@@H](c2ccccc2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone?
The InChIKey is MHMFEPYZUALXDP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21FN2O/c1-21-11-12-22(18(14-21)15-7-3-2-4-8-15)19(23)13-16-9-5-6-10-17(16)20/h2-10,18H,11-14H2,1H3/t18-/m1/s1.
What are the key properties of 2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone?
2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone has a molecular weight of 312.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-[(2S)-4-methyl-2-phenylpiperazin-1-yl]ethanone is sourced from PubChem (CID 38169510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).