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

C19H21BrFN2O2- — CID 43831496

IUPACmethyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide
SMILESCOC(=O)C(c1ccc(F)cc1)N1CCN(c2ccccc2)CC1.[Br-]
InChIInChI=1S/C19H21FN2O2.BrH/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;1H/p-1
InChIKeyHNFXRSPOJBZOMP-UHFFFAOYSA-M
MW408.29 g/mol
LogP-0.13
Rot. Bonds4

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

methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide (PubChem CID 43831496) has the molecular formula C19H21BrFN2O2- and a molecular weight of 408.29 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide
PubChem CID43831496
Molecular FormulaC19H21BrFN2O2-
Molecular Weight408.29 g/mol
Exact Mass407.08
IUPAC Namemethyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide
SMILESCOC(=O)C(c1ccc(F)cc1)N1CCN(c2ccccc2)CC1.[Br-]
InChIInChI=1S/C19H21FN2O2.BrH/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;1H/p-1
InChIKeyHNFXRSPOJBZOMP-UHFFFAOYSA-M
XLogP-0.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate
CID 7327391
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 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide?
The IUPAC name of methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide (CID 43831496) is methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide?
The canonical SMILES for methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide is COC(=O)C(c1ccc(F)cc1)N1CCN(c2ccccc2)CC1.[Br-].
What is the InChIKey of methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide?
The InChIKey is HNFXRSPOJBZOMP-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H21FN2O2.BrH/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;1H/p-1.
What are the key properties of methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide?
methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide has a molecular weight of 408.29 g/mol, XLogP of -0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-2-(4-phenylpiperazin-1-yl)acetate bromide is sourced from PubChem (CID 43831496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).