(2S,3S)-2-fluoro-3-methyl-1-piperidin-1-ylpent-4-en-1-one

C11H18FNO — CID 10608067

IUPAC(2S,3S)-2-fluoro-3-methyl-1-piperidin-1-ylpent-4-en-1-one
SMILESC=C[C@H](C)[C@H](F)C(=O)N1CCCCC1
InChIInChI=1S/C11H18FNO/c1-3-9(2)10(12)11(14)13-7-5-4-6-8-13/h3,9-10H,1,4-8H2,2H3/t9-,10-/m0/s1
InChIKeyUESSHCNYURVSGZ-UWVGGRQHSA-N
MW199.27 g/mol
LogP2.16
Rot. Bonds3

About (2S,3S)-2-fluoro-3-methyl-1-piperidin-1-ylpent-4-en-1-one

(2S,3S)-2-fluoro-3-methyl-1-piperidin-1-ylpent-4-en-1-one (PubChem CID 10608067) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is (2S,3S)-2-fluoro-3-methyl-1-piperidin-1-ylpent-4-en-1-one.

Molecular Properties

Compound Name(2S,3S)-2-fluoro-3-methyl-1-piperidin-1-ylpent-4-en-1-one
PubChem CID10608067
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name(2S,3S)-2-fluoro-3-methyl-1-piperidin-1-ylpent-4-en-1-one
SMILESC=C[C@H](C)[C@H](F)C(=O)N1CCCCC1
InChIInChI=1S/C11H18FNO/c1-3-9(2)10(12)11(14)13-7-5-4-6-8-13/h3,9-10H,1,4-8H2,2H3/t9-,10-/m0/s1
InChIKeyUESSHCNYURVSGZ-UWVGGRQHSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-fluoro-3-methyl-1-piperidin-1-ylpent-4-en-1-one?
The IUPAC name of (2S,3S)-2-fluoro-3-methyl-1-piperidin-1-ylpent-4-en-1-one (CID 10608067) is (2S,3S)-2-fluoro-3-methyl-1-piperidin-1-ylpent-4-en-1-one.
What is the SMILES notation for (2S,3S)-2-fluoro-3-methyl-1-piperidin-1-ylpent-4-en-1-one?
The canonical SMILES for (2S,3S)-2-fluoro-3-methyl-1-piperidin-1-ylpent-4-en-1-one is C=C[C@H](C)[C@H](F)C(=O)N1CCCCC1.
What is the InChIKey of (2S,3S)-2-fluoro-3-methyl-1-piperidin-1-ylpent-4-en-1-one?
The InChIKey is UESSHCNYURVSGZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H18FNO/c1-3-9(2)10(12)11(14)13-7-5-4-6-8-13/h3,9-10H,1,4-8H2,2H3/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-2-fluoro-3-methyl-1-piperidin-1-ylpent-4-en-1-one?
(2S,3S)-2-fluoro-3-methyl-1-piperidin-1-ylpent-4-en-1-one has a molecular weight of 199.27 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-fluoro-3-methyl-1-piperidin-1-ylpent-4-en-1-one is sourced from PubChem (CID 10608067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).