methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate

C15H21FN2O2 — CID 43398425

IUPACmethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-12(15(19)20-2)11-17-7-9-18(10-8-17)14-5-3-13(16)4-6-14/h3-6,12H,7-11H2,1-2H3
InChIKeyUBCCLJSUJIXMMJ-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.76
Rot. Bonds4

About methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate

methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate (PubChem CID 43398425) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
PubChem CID43398425
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Namemethyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H21FN2O2/c1-12(15(19)20-2)11-17-7-9-18(10-8-17)14-5-3-13(16)4-6-14/h3-6,12H,7-11H2,1-2H3
InChIKeyUBCCLJSUJIXMMJ-UHFFFAOYSA-N
XLogP1.76
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342
methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutanoate
CID 79413715
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxypropan-2-amine
CID 81101377
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 1439429
N-(4-fluorophenyl)-4-[4-(2-methylpropyl)piperazin-1-yl]benzamide
CID 174859465
methyl 3-[[ethylamino-[4-(4-fluorophenyl)piperazin-1-yl]methylidene]amino]-2-methylpropanoate;hydroiodide
CID 111165026
methyl (2S,3R)-2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylpentanoate
CID 2012778
methyl (2S)-3-[[(2S)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-methylamino]-2-methylpropanoate
CID 95151612
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methyl-3-(methylamino)propanamide;trihydrochloride
CID 119902213
methyl 2-(4-fluorophenyl)-3-pyrrolidin-1-ylpropanoate
CID 117245099
methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 3268160
methyl (2S)-2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylsulfanylbutanoate
CID 7584210

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate?
The IUPAC name of methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate (CID 43398425) is methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate?
The canonical SMILES for methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate is COC(=O)C(C)CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate?
The InChIKey is UBCCLJSUJIXMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-12(15(19)20-2)11-17-7-9-18(10-8-17)14-5-3-13(16)4-6-14/h3-6,12H,7-11H2,1-2H3.
What are the key properties of methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate?
methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate has a molecular weight of 280.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate is sourced from PubChem (CID 43398425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).