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

C15H21FN2O2 — CID 60649342

IUPACmethyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O2/c1-12(15(19)20-2)11-17-7-9-18(10-8-17)14-6-4-3-5-13(14)16/h3-6,12H,7-11H2,1-2H3
InChIKeyLFTUSEJGEXKKDD-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.76
Rot. Bonds4

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

methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate (PubChem CID 60649342) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
PubChem CID60649342
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Namemethyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H21FN2O2/c1-12(15(19)20-2)11-17-7-9-18(10-8-17)14-6-4-3-5-13(14)16/h3-6,12H,7-11H2,1-2H3
InChIKeyLFTUSEJGEXKKDD-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

3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanehydrazide
CID 63570573
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate
CID 51074732
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide
CID 54937463
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 43398425
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 113343915
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
2-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-ol
CID 64790373
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 7036660
(2R)-1,1,1-trifluoro-3-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 28775333
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 60512330

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate?
The IUPAC name of methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate (CID 60649342) is methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate?
The canonical SMILES for methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate is COC(=O)C(C)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate?
The InChIKey is LFTUSEJGEXKKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-12(15(19)20-2)11-17-7-9-18(10-8-17)14-6-4-3-5-13(14)16/h3-6,12H,7-11H2,1-2H3.
What are the key properties of methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate?
methyl 3-[4-(2-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-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate is sourced from PubChem (CID 60649342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).