4-(1-ethoxyethenyl)-4-fluoropiperidine

C9H16FNO — CID 143614703

IUPAC4-(1-ethoxyethenyl)-4-fluoropiperidine
SMILESC=C(OCC)C1(F)CCNCC1
InChIInChI=1S/C9H16FNO/c1-3-12-8(2)9(10)4-6-11-7-5-9/h11H,2-7H2,1H3
InChIKeyHLHVYXKVOLJUJW-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.63
Rot. Bonds3

About 4-(1-ethoxyethenyl)-4-fluoropiperidine

4-(1-ethoxyethenyl)-4-fluoropiperidine (PubChem CID 143614703) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 4-(1-ethoxyethenyl)-4-fluoropiperidine.

Molecular Properties

Compound Name4-(1-ethoxyethenyl)-4-fluoropiperidine
PubChem CID143614703
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name4-(1-ethoxyethenyl)-4-fluoropiperidine
SMILESC=C(OCC)C1(F)CCNCC1
InChIInChI=1S/C9H16FNO/c1-3-12-8(2)9(10)4-6-11-7-5-9/h11H,2-7H2,1H3
InChIKeyHLHVYXKVOLJUJW-UHFFFAOYSA-N
XLogP1.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(difluoromethyl)piperidine-4-carboxylate
CID 135383160
ethyl 2-(4-hydroxypiperidin-4-yl)-2-methylpropanoate
CID 62397603
ethyl 4-acetylpiperidine-4-carboxylate
CID 79001872
ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride
CID 137331820
4-ethoxycarbonylpiperidine-4-carboxylic acid;hydrobromide
CID 141202240
ethyl 2-(4-ethylpiperidin-4-yl)acetate
CID 167523554
ethyl 4-acetylpiperidine-4-carboxylate;hydrobromide
CID 141202253
(4-aminopiperidin-4-yl)methanol;ethoxyethane
CID 66797451
ethyl 4-fluoro-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate;ethyl 4-fluoropiperidine-4-carboxylate
CID 159445983
ethyl 4-[(S)-methylsulfinyl]piperidine-4-carboxylate
CID 124710720
ethyl 1-fluorocyclopentane-1-carboxylate
CID 14460277
6-azaspiro[2.5]octane;ethane;propane
CID 176979994

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethenyl)-4-fluoropiperidine?
The IUPAC name of 4-(1-ethoxyethenyl)-4-fluoropiperidine (CID 143614703) is 4-(1-ethoxyethenyl)-4-fluoropiperidine.
What is the SMILES notation for 4-(1-ethoxyethenyl)-4-fluoropiperidine?
The canonical SMILES for 4-(1-ethoxyethenyl)-4-fluoropiperidine is C=C(OCC)C1(F)CCNCC1.
What is the InChIKey of 4-(1-ethoxyethenyl)-4-fluoropiperidine?
The InChIKey is HLHVYXKVOLJUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-3-12-8(2)9(10)4-6-11-7-5-9/h11H,2-7H2,1H3.
What are the key properties of 4-(1-ethoxyethenyl)-4-fluoropiperidine?
4-(1-ethoxyethenyl)-4-fluoropiperidine has a molecular weight of 173.23 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethenyl)-4-fluoropiperidine is sourced from PubChem (CID 143614703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).