methyl (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoate

C9H14FNO2 — CID 105442517

IUPACmethyl (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoate
SMILESCOC(=O)/C(F)=C/C1CCNCC1
InChIInChI=1S/C9H14FNO2/c1-13-9(12)8(10)6-7-2-4-11-5-3-7/h6-7,11H,2-5H2,1H3/b8-6-
InChIKeyGZEMNWGCTUAGFV-VURMDHGXSA-N
MW187.21 g/mol
LogP1.01
Rot. Bonds2

About methyl (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoate

methyl (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoate (PubChem CID 105442517) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is methyl (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoate
PubChem CID105442517
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Namemethyl (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoate
SMILESCOC(=O)/C(F)=C/C1CCNCC1
InChIInChI=1S/C9H14FNO2/c1-13-9(12)8(10)6-7-2-4-11-5-3-7/h6-7,11H,2-5H2,1H3/b8-6-
InChIKeyGZEMNWGCTUAGFV-VURMDHGXSA-N
XLogP1.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoate?
The IUPAC name of methyl (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoate (CID 105442517) is methyl (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoate.
What is the SMILES notation for methyl (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoate?
The canonical SMILES for methyl (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoate is COC(=O)/C(F)=C/C1CCNCC1.
What is the InChIKey of methyl (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoate?
The InChIKey is GZEMNWGCTUAGFV-VURMDHGXSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-13-9(12)8(10)6-7-2-4-11-5-3-7/h6-7,11H,2-5H2,1H3/b8-6-.
What are the key properties of methyl (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoate?
methyl (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoate has a molecular weight of 187.21 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-fluoro-3-piperidin-4-ylprop-2-enoate is sourced from PubChem (CID 105442517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).