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

C14H19FN2O2 — CID 51074732

IUPACmethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate
SMILESCOC(=O)C(C)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H19FN2O2/c1-11(14(18)19-2)16-7-9-17(10-8-16)13-6-4-3-5-12(13)15/h3-6,11H,7-10H2,1-2H3
InChIKeyLUBKGLITMWPSDN-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.51
Rot. Bonds3

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

methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate (PubChem CID 51074732) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate
PubChem CID51074732
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Namemethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate
SMILESCOC(=O)C(C)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H19FN2O2/c1-11(14(18)19-2)16-7-9-17(10-8-16)13-6-4-3-5-12(13)15/h3-6,11H,7-10H2,1-2H3
InChIKeyLUBKGLITMWPSDN-UHFFFAOYSA-N
XLogP1.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(2-methoxyphenyl)piperazin-1-yl]propanoate
CID 47016293
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342
2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one
CID 64868635
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46043420
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46043414
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 51242573
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 112683958
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-enoate
CID 79896494
4-amino-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylbutanamide
CID 66428406

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate (CID 51074732) is methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate is COC(=O)C(C)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate?
The InChIKey is LUBKGLITMWPSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-11(14(18)19-2)16-7-9-17(10-8-16)13-6-4-3-5-12(13)15/h3-6,11H,7-10H2,1-2H3.
What are the key properties of methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate?
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate has a molecular weight of 266.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 51074732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).