ethyl (E)-3-(3-fluoro-1-methylpiperidin-3-yl)prop-2-enoate

C11H18FNO2 — CID 155238178

IUPACethyl (E)-3-(3-fluoro-1-methylpiperidin-3-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/C1(F)CCCN(C)C1
InChIInChI=1S/C11H18FNO2/c1-3-15-10(14)5-7-11(12)6-4-8-13(2)9-11/h5,7H,3-4,6,8-9H2,1-2H3/b7-5+
InChIKeyOHCAUUVEIMGCBK-FNORWQNLSA-N
MW215.27 g/mol
LogP1.54
Rot. Bonds3

About ethyl (E)-3-(3-fluoro-1-methylpiperidin-3-yl)prop-2-enoate

ethyl (E)-3-(3-fluoro-1-methylpiperidin-3-yl)prop-2-enoate (PubChem CID 155238178) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is ethyl (E)-3-(3-fluoro-1-methylpiperidin-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(3-fluoro-1-methylpiperidin-3-yl)prop-2-enoate
PubChem CID155238178
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Nameethyl (E)-3-(3-fluoro-1-methylpiperidin-3-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/C1(F)CCCN(C)C1
InChIInChI=1S/C11H18FNO2/c1-3-15-10(14)5-7-11(12)6-4-8-13(2)9-11/h5,7H,3-4,6,8-9H2,1-2H3/b7-5+
InChIKeyOHCAUUVEIMGCBK-FNORWQNLSA-N
XLogP1.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (E)-3-(3-fluoro-1-methylpiperidin-3-yl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-3-(4-methylpiperazin-1-yl)prop-2-enoate
CID 15300719
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
ethyl 3,3-difluoropiperidine-1-carboxylate
CID 118335614
ethyl (E)-4-(8-azaspiro[4.5]decan-8-yl)but-2-enoate
CID 80549264
1-(1,3-dimethylpiperidin-3-yl)propan-1-one;ethane
CID 178173613
ethyl 3-(2,2-difluorocyclopropyl)prop-2-enoate
CID 118364434
2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid
CID 83816582
ethyl (E)-4-(3-azaspiro[5.5]undecan-3-yl)but-2-enoate
CID 80549568
(1,3-dimethylpiperidin-3-yl) 2,3-dibromopropanoate
CID 162508064
ethyl (E)-4-(2-pyrrolidin-1-ylethylamino)but-2-enoate
CID 80547527
diethyl (Z)-but-2-enedioate;ethanol
CID 161113311
1-O-ethyl 4-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) but-2-enedioate
CID 54340280

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(3-fluoro-1-methylpiperidin-3-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(3-fluoro-1-methylpiperidin-3-yl)prop-2-enoate (CID 155238178) is ethyl (E)-3-(3-fluoro-1-methylpiperidin-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(3-fluoro-1-methylpiperidin-3-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(3-fluoro-1-methylpiperidin-3-yl)prop-2-enoate is CCOC(=O)/C=C/C1(F)CCCN(C)C1.
What is the InChIKey of ethyl (E)-3-(3-fluoro-1-methylpiperidin-3-yl)prop-2-enoate?
The InChIKey is OHCAUUVEIMGCBK-FNORWQNLSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-3-15-10(14)5-7-11(12)6-4-8-13(2)9-11/h5,7H,3-4,6,8-9H2,1-2H3/b7-5+.
What are the key properties of ethyl (E)-3-(3-fluoro-1-methylpiperidin-3-yl)prop-2-enoate?
ethyl (E)-3-(3-fluoro-1-methylpiperidin-3-yl)prop-2-enoate has a molecular weight of 215.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(3-fluoro-1-methylpiperidin-3-yl)prop-2-enoate is sourced from PubChem (CID 155238178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).