1-(4-ethylpiperidin-1-yl)-2-fluoroprop-2-en-1-one

C10H16FNO — CID 176982005

IUPAC1-(4-ethylpiperidin-1-yl)-2-fluoroprop-2-en-1-one
SMILESC=C(F)C(=O)N1CCC(CC)CC1
InChIInChI=1S/C10H16FNO/c1-3-9-4-6-12(7-5-9)10(13)8(2)11/h9H,2-7H2,1H3
InChIKeyUMLBXTKXFNLTCR-UHFFFAOYSA-N
MW185.24 g/mol
LogP2.12
Rot. Bonds2

About 1-(4-ethylpiperidin-1-yl)-2-fluoroprop-2-en-1-one

1-(4-ethylpiperidin-1-yl)-2-fluoroprop-2-en-1-one (PubChem CID 176982005) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 1-(4-ethylpiperidin-1-yl)-2-fluoroprop-2-en-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperidin-1-yl)-2-fluoroprop-2-en-1-one
PubChem CID176982005
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name1-(4-ethylpiperidin-1-yl)-2-fluoroprop-2-en-1-one
SMILESC=C(F)C(=O)N1CCC(CC)CC1
InChIInChI=1S/C10H16FNO/c1-3-9-4-6-12(7-5-9)10(13)8(2)11/h9H,2-7H2,1H3
InChIKeyUMLBXTKXFNLTCR-UHFFFAOYSA-N
XLogP2.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-[4-(methylamino)piperidin-1-yl]prop-2-en-1-one
CID 168894405
4-ethyl-1-prop-1-en-2-ylpiperidine
CID 142170735
1-(4-ethylpiperidin-1-yl)-3-methylbut-2-en-1-one
CID 130157704
(4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 14084840
2-methoxyethyl 4-ethylpiperidine-1-carboxylate
CID 70658235
1-(4-ethylpiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 155470023
3-(4-ethylpiperidin-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821371
1-(4-ethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 70906866
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
2-methyl-1-[4-[3-[1-(2-methylprop-2-enoyl)piperidin-4-yl]propyl]piperidin-1-yl]prop-2-en-1-one
CID 91694707
(4-butan-2-ylpiperazin-1-yl)-(4-ethylpiperidin-1-yl)methanone
CID 176984609
3-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 58662028

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperidin-1-yl)-2-fluoroprop-2-en-1-one?
The IUPAC name of 1-(4-ethylpiperidin-1-yl)-2-fluoroprop-2-en-1-one (CID 176982005) is 1-(4-ethylpiperidin-1-yl)-2-fluoroprop-2-en-1-one.
What is the SMILES notation for 1-(4-ethylpiperidin-1-yl)-2-fluoroprop-2-en-1-one?
The canonical SMILES for 1-(4-ethylpiperidin-1-yl)-2-fluoroprop-2-en-1-one is C=C(F)C(=O)N1CCC(CC)CC1.
What is the InChIKey of 1-(4-ethylpiperidin-1-yl)-2-fluoroprop-2-en-1-one?
The InChIKey is UMLBXTKXFNLTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-3-9-4-6-12(7-5-9)10(13)8(2)11/h9H,2-7H2,1H3.
What are the key properties of 1-(4-ethylpiperidin-1-yl)-2-fluoroprop-2-en-1-one?
1-(4-ethylpiperidin-1-yl)-2-fluoroprop-2-en-1-one has a molecular weight of 185.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperidin-1-yl)-2-fluoroprop-2-en-1-one is sourced from PubChem (CID 176982005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).