methyl (Z)-2-fluoro-3-(1-methylpiperidin-4-yl)prop-2-enoate

C10H16FNO2 — CID 105453505

IUPACmethyl (Z)-2-fluoro-3-(1-methylpiperidin-4-yl)prop-2-enoate
SMILESCOC(=O)/C(F)=C/C1CCN(C)CC1
InChIInChI=1S/C10H16FNO2/c1-12-5-3-8(4-6-12)7-9(11)10(13)14-2/h7-8H,3-6H2,1-2H3/b9-7-
InChIKeyFXTJSSMLPQQGJP-CLFYSBASSA-N
MW201.24 g/mol
LogP1.35
Rot. Bonds2

About methyl (Z)-2-fluoro-3-(1-methylpiperidin-4-yl)prop-2-enoate

methyl (Z)-2-fluoro-3-(1-methylpiperidin-4-yl)prop-2-enoate (PubChem CID 105453505) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is methyl (Z)-2-fluoro-3-(1-methylpiperidin-4-yl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-fluoro-3-(1-methylpiperidin-4-yl)prop-2-enoate
PubChem CID105453505
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Namemethyl (Z)-2-fluoro-3-(1-methylpiperidin-4-yl)prop-2-enoate
SMILESCOC(=O)/C(F)=C/C1CCN(C)CC1
InChIInChI=1S/C10H16FNO2/c1-12-5-3-8(4-6-12)7-9(11)10(13)14-2/h7-8H,3-6H2,1-2H3/b9-7-
InChIKeyFXTJSSMLPQQGJP-CLFYSBASSA-N
XLogP1.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
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-(1-methylpiperidin-4-yl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-fluoro-3-(1-methylpiperidin-4-yl)prop-2-enoate (CID 105453505) is methyl (Z)-2-fluoro-3-(1-methylpiperidin-4-yl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-fluoro-3-(1-methylpiperidin-4-yl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-fluoro-3-(1-methylpiperidin-4-yl)prop-2-enoate is COC(=O)/C(F)=C/C1CCN(C)CC1.
What is the InChIKey of methyl (Z)-2-fluoro-3-(1-methylpiperidin-4-yl)prop-2-enoate?
The InChIKey is FXTJSSMLPQQGJP-CLFYSBASSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-12-5-3-8(4-6-12)7-9(11)10(13)14-2/h7-8H,3-6H2,1-2H3/b9-7-.
What are the key properties of methyl (Z)-2-fluoro-3-(1-methylpiperidin-4-yl)prop-2-enoate?
methyl (Z)-2-fluoro-3-(1-methylpiperidin-4-yl)prop-2-enoate has a molecular weight of 201.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-fluoro-3-(1-methylpiperidin-4-yl)prop-2-enoate is sourced from PubChem (CID 105453505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).