methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate

C19H21FN2O2 — CID 7327391

IUPACmethyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
SMILESCOC(=O)[C@H](c1ccc(F)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21FN2O2/c1-24-19(23)18(15-7-9-16(20)10-8-15)22-13-11-21(12-14-22)17-5-3-2-4-6-17/h2-10,18H,11-14H2,1H3/t18-/m0/s1
InChIKeyGNZYWIDKLQOFMO-SFHVURJKSA-N
MW328.39 g/mol
LogP2.86
Rot. Bonds4

About methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate

methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate (PubChem CID 7327391) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
PubChem CID7327391
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Namemethyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
SMILESCOC(=O)[C@H](c1ccc(F)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H21FN2O2/c1-24-19(23)18(15-7-9-16(20)10-8-15)22-13-11-21(12-14-22)17-5-3-2-4-6-17/h2-10,18H,11-14H2,1H3/t18-/m0/s1
InChIKeyGNZYWIDKLQOFMO-SFHVURJKSA-N
XLogP2.86
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide
CID 43831496
methyl 2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetate
CID 86879116
(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135011
methyl (2R)-2-(4-ethylsulfonylpiperazin-1-yl)-2-(4-fluorophenyl)acetate
CID 95280387
4-(2-methoxy-2-oxo-1-phenylethyl)piperazine-1-carboxylic acid
CID 22353154
methyl (2S)-2-(4-fluorophenyl)-2-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]acetate
CID 31540480
methyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate
CID 102038565
methyl 2-phenyl-2-piperidin-1-ylacetate
CID 12957460
methyl 2-[4-[4-(butanoylamino)phenyl]piperazin-1-yl]-2-phenylacetate
CID 16666781
N-(4-fluorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-phenylacetamide
CID 46561400
methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutanoate
CID 79413715
methyl 2-[4-[4-[(2-methylbenzoyl)amino]phenyl]piperazin-1-yl]-2-phenylacetate
CID 16666631

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate?
The IUPAC name of methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate (CID 7327391) is methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate.
What is the SMILES notation for methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate?
The canonical SMILES for methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate is COC(=O)[C@H](c1ccc(F)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate?
The InChIKey is GNZYWIDKLQOFMO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-24-19(23)18(15-7-9-16(20)10-8-15)22-13-11-21(12-14-22)17-5-3-2-4-6-17/h2-10,18H,11-14H2,1H3/t18-/m0/s1.
What are the key properties of methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate?
methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate has a molecular weight of 328.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate is sourced from PubChem (CID 7327391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).