4-fluoro-1-propan-2-yl-4-prop-2-enylpiperidine

C11H20FN — CID 163822521

IUPAC4-fluoro-1-propan-2-yl-4-prop-2-enylpiperidine
SMILESC=CCC1(F)CCN(C(C)C)CC1
InChIInChI=1S/C11H20FN/c1-4-5-11(12)6-8-13(9-7-11)10(2)3/h4,10H,1,5-9H2,2-3H3
InChIKeyNWPZOYQWYHWCDT-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.78
Rot. Bonds3

About 4-fluoro-1-propan-2-yl-4-prop-2-enylpiperidine

4-fluoro-1-propan-2-yl-4-prop-2-enylpiperidine (PubChem CID 163822521) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 4-fluoro-1-propan-2-yl-4-prop-2-enylpiperidine.

Molecular Properties

Compound Name4-fluoro-1-propan-2-yl-4-prop-2-enylpiperidine
PubChem CID163822521
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name4-fluoro-1-propan-2-yl-4-prop-2-enylpiperidine
SMILESC=CCC1(F)CCN(C(C)C)CC1
InChIInChI=1S/C11H20FN/c1-4-5-11(12)6-8-13(9-7-11)10(2)3/h4,10H,1,5-9H2,2-3H3
InChIKeyNWPZOYQWYHWCDT-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.78
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 4-fluoro-1-propan-2-yl-4-prop-2-enylpiperidine?
The IUPAC name of 4-fluoro-1-propan-2-yl-4-prop-2-enylpiperidine (CID 163822521) is 4-fluoro-1-propan-2-yl-4-prop-2-enylpiperidine.
What is the SMILES notation for 4-fluoro-1-propan-2-yl-4-prop-2-enylpiperidine?
The canonical SMILES for 4-fluoro-1-propan-2-yl-4-prop-2-enylpiperidine is C=CCC1(F)CCN(C(C)C)CC1.
What is the InChIKey of 4-fluoro-1-propan-2-yl-4-prop-2-enylpiperidine?
The InChIKey is NWPZOYQWYHWCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-4-5-11(12)6-8-13(9-7-11)10(2)3/h4,10H,1,5-9H2,2-3H3.
What are the key properties of 4-fluoro-1-propan-2-yl-4-prop-2-enylpiperidine?
4-fluoro-1-propan-2-yl-4-prop-2-enylpiperidine has a molecular weight of 185.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-propan-2-yl-4-prop-2-enylpiperidine is sourced from PubChem (CID 163822521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).