3-fluoro-3-methyl-1-prop-1-en-2-ylpiperidine

C9H16FN — CID 162729666

IUPAC3-fluoro-3-methyl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCCC(C)(F)C1
InChIInChI=1S/C9H16FN/c1-8(2)11-6-4-5-9(3,10)7-11/h1,4-7H2,2-3H3
InChIKeyJQKZLSGYZFCABD-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.34
Rot. Bonds1

About 3-fluoro-3-methyl-1-prop-1-en-2-ylpiperidine

3-fluoro-3-methyl-1-prop-1-en-2-ylpiperidine (PubChem CID 162729666) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-prop-1-en-2-ylpiperidine
PubChem CID162729666
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name3-fluoro-3-methyl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCCC(C)(F)C1
InChIInChI=1S/C9H16FN/c1-8(2)11-6-4-5-9(3,10)7-11/h1,4-7H2,2-3H3
InChIKeyJQKZLSGYZFCABD-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-prop-1-en-2-ylpiperidine?
The IUPAC name of 3-fluoro-3-methyl-1-prop-1-en-2-ylpiperidine (CID 162729666) is 3-fluoro-3-methyl-1-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-prop-1-en-2-ylpiperidine?
The canonical SMILES for 3-fluoro-3-methyl-1-prop-1-en-2-ylpiperidine is C=C(C)N1CCCC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-prop-1-en-2-ylpiperidine?
The InChIKey is JQKZLSGYZFCABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-8(2)11-6-4-5-9(3,10)7-11/h1,4-7H2,2-3H3.
What are the key properties of 3-fluoro-3-methyl-1-prop-1-en-2-ylpiperidine?
3-fluoro-3-methyl-1-prop-1-en-2-ylpiperidine has a molecular weight of 157.23 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 162729666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).