3-fluoro-4-methyl-1-prop-2-enylpiperidine

C9H16FN — CID 131089132

IUPAC3-fluoro-4-methyl-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(C)C(F)C1
InChIInChI=1S/C9H16FN/c1-3-5-11-6-4-8(2)9(10)7-11/h3,8-9H,1,4-7H2,2H3
InChIKeyREPCMCRWFFZYIU-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.85
Rot. Bonds2

About 3-fluoro-4-methyl-1-prop-2-enylpiperidine

3-fluoro-4-methyl-1-prop-2-enylpiperidine (PubChem CID 131089132) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 3-fluoro-4-methyl-1-prop-2-enylpiperidine.

Molecular Properties

Compound Name3-fluoro-4-methyl-1-prop-2-enylpiperidine
PubChem CID131089132
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name3-fluoro-4-methyl-1-prop-2-enylpiperidine
SMILESC=CCN1CCC(C)C(F)C1
InChIInChI=1S/C9H16FN/c1-3-5-11-6-4-8(2)9(10)7-11/h3,8-9H,1,4-7H2,2H3
InChIKeyREPCMCRWFFZYIU-UHFFFAOYSA-N
XLogP1.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.85
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 3-fluoro-4-methyl-1-prop-2-enylpiperidine?
The IUPAC name of 3-fluoro-4-methyl-1-prop-2-enylpiperidine (CID 131089132) is 3-fluoro-4-methyl-1-prop-2-enylpiperidine.
What is the SMILES notation for 3-fluoro-4-methyl-1-prop-2-enylpiperidine?
The canonical SMILES for 3-fluoro-4-methyl-1-prop-2-enylpiperidine is C=CCN1CCC(C)C(F)C1.
What is the InChIKey of 3-fluoro-4-methyl-1-prop-2-enylpiperidine?
The InChIKey is REPCMCRWFFZYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-5-11-6-4-8(2)9(10)7-11/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 3-fluoro-4-methyl-1-prop-2-enylpiperidine?
3-fluoro-4-methyl-1-prop-2-enylpiperidine has a molecular weight of 157.23 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-1-prop-2-enylpiperidine is sourced from PubChem (CID 131089132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).