3-fluoro-3-(2-methylprop-1-enyl)piperidine

C9H16FN — CID 112562873

IUPAC3-fluoro-3-(2-methylprop-1-enyl)piperidine
SMILESCC(C)=CC1(F)CCCNC1
InChIInChI=1S/C9H16FN/c1-8(2)6-9(10)4-3-5-11-7-9/h6,11H,3-5,7H2,1-2H3
InChIKeyAGBSLIXKTYVGQN-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.04
Rot. Bonds1

About 3-fluoro-3-(2-methylprop-1-enyl)piperidine

3-fluoro-3-(2-methylprop-1-enyl)piperidine (PubChem CID 112562873) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 3-fluoro-3-(2-methylprop-1-enyl)piperidine.

Molecular Properties

Compound Name3-fluoro-3-(2-methylprop-1-enyl)piperidine
PubChem CID112562873
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name3-fluoro-3-(2-methylprop-1-enyl)piperidine
SMILESCC(C)=CC1(F)CCCNC1
InChIInChI=1S/C9H16FN/c1-8(2)6-9(10)4-3-5-11-7-9/h6,11H,3-5,7H2,1-2H3
InChIKeyAGBSLIXKTYVGQN-UHFFFAOYSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.04
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-fluoro-3-(2-methylprop-1-enyl)piperidine?
The IUPAC name of 3-fluoro-3-(2-methylprop-1-enyl)piperidine (CID 112562873) is 3-fluoro-3-(2-methylprop-1-enyl)piperidine.
What is the SMILES notation for 3-fluoro-3-(2-methylprop-1-enyl)piperidine?
The canonical SMILES for 3-fluoro-3-(2-methylprop-1-enyl)piperidine is CC(C)=CC1(F)CCCNC1.
What is the InChIKey of 3-fluoro-3-(2-methylprop-1-enyl)piperidine?
The InChIKey is AGBSLIXKTYVGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-8(2)6-9(10)4-3-5-11-7-9/h6,11H,3-5,7H2,1-2H3.
What are the key properties of 3-fluoro-3-(2-methylprop-1-enyl)piperidine?
3-fluoro-3-(2-methylprop-1-enyl)piperidine has a molecular weight of 157.23 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-methylprop-1-enyl)piperidine is sourced from PubChem (CID 112562873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).