3-ethenyl-3-fluoro-4-propan-2-ylpiperidine

C10H18FN — CID 154670759

IUPAC3-ethenyl-3-fluoro-4-propan-2-ylpiperidine
SMILESC=CC1(F)CNCCC1C(C)C
InChIInChI=1S/C10H18FN/c1-4-10(11)7-12-6-5-9(10)8(2)3/h4,8-9,12H,1,5-7H2,2-3H3
InChIKeyKNMFVCBSNKCJSD-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.15
Rot. Bonds2

About 3-ethenyl-3-fluoro-4-propan-2-ylpiperidine

3-ethenyl-3-fluoro-4-propan-2-ylpiperidine (PubChem CID 154670759) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 3-ethenyl-3-fluoro-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name3-ethenyl-3-fluoro-4-propan-2-ylpiperidine
PubChem CID154670759
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name3-ethenyl-3-fluoro-4-propan-2-ylpiperidine
SMILESC=CC1(F)CNCCC1C(C)C
InChIInChI=1S/C10H18FN/c1-4-10(11)7-12-6-5-9(10)8(2)3/h4,8-9,12H,1,5-7H2,2-3H3
InChIKeyKNMFVCBSNKCJSD-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
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 3-ethenyl-3-fluoro-4-propan-2-ylpiperidine?
The IUPAC name of 3-ethenyl-3-fluoro-4-propan-2-ylpiperidine (CID 154670759) is 3-ethenyl-3-fluoro-4-propan-2-ylpiperidine.
What is the SMILES notation for 3-ethenyl-3-fluoro-4-propan-2-ylpiperidine?
The canonical SMILES for 3-ethenyl-3-fluoro-4-propan-2-ylpiperidine is C=CC1(F)CNCCC1C(C)C.
What is the InChIKey of 3-ethenyl-3-fluoro-4-propan-2-ylpiperidine?
The InChIKey is KNMFVCBSNKCJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-4-10(11)7-12-6-5-9(10)8(2)3/h4,8-9,12H,1,5-7H2,2-3H3.
What are the key properties of 3-ethenyl-3-fluoro-4-propan-2-ylpiperidine?
3-ethenyl-3-fluoro-4-propan-2-ylpiperidine has a molecular weight of 171.26 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-3-fluoro-4-propan-2-ylpiperidine is sourced from PubChem (CID 154670759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).