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

C14H17FN2O2 — CID 79896494

IUPACmethyl 3-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-enoate
SMILESCOC(=O)C=CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H17FN2O2/c1-19-14(18)6-7-16-8-10-17(11-9-16)13-5-3-2-4-12(13)15/h2-7H,8-11H2,1H3
InChIKeyZMDRUZSQWDEOCB-UHFFFAOYSA-N
MW264.30 g/mol
LogP1.63
Rot. Bonds3

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

methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-enoate (PubChem CID 79896494) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-enoate
PubChem CID79896494
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Namemethyl 3-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-enoate
SMILESCOC(=O)C=CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C14H17FN2O2/c1-19-14(18)6-7-16-8-10-17(11-9-16)13-5-3-2-4-12(13)15/h2-7H,8-11H2,1H3
InChIKeyZMDRUZSQWDEOCB-UHFFFAOYSA-N
XLogP1.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-[3-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]prop-2-enoate
CID 67577993
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 112683958
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate
CID 51074732
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanoate
CID 60649342
methyl (E)-4-[4-(2-methylphenyl)piperazin-1-yl]-4-oxobut-2-enoate
CID 851905
(Z)-2-cyano-3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)prop-2-enamide
CID 108821196
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyanilino)ethanone
CID 109004460
methyl 4-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]benzoate
CID 109004477
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
methyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate
CID 169479575

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-enoate?
The IUPAC name of methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-enoate (CID 79896494) is methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-enoate.
What is the SMILES notation for methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-enoate?
The canonical SMILES for methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-enoate is COC(=O)C=CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-enoate?
The InChIKey is ZMDRUZSQWDEOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-19-14(18)6-7-16-8-10-17(11-9-16)13-5-3-2-4-12(13)15/h2-7H,8-11H2,1H3.
What are the key properties of methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-enoate?
methyl 3-[4-(2-fluorophenyl)piperazin-1-yl]prop-2-enoate has a molecular weight of 264.30 g/mol, XLogP of 1.63, 3 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]prop-2-enoate is sourced from PubChem (CID 79896494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).