(3S)-3-fluoro-3-methylpiperidine

C6H12FN — CID 97009658

IUPAC(3S)-3-fluoro-3-methylpiperidine
SMILESC[C@]1(F)CCCNC1
InChIInChI=1S/C6H12FN/c1-6(7)3-2-4-8-5-6/h8H,2-5H2,1H3/t6-/m0/s1
InChIKeyZNUPLHUOEAEDIJ-LURJTMIESA-N
MW117.17 g/mol
LogP1.10
Rot. Bonds

About (3S)-3-fluoro-3-methylpiperidine

(3S)-3-fluoro-3-methylpiperidine (PubChem CID 97009658) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is (3S)-3-fluoro-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-3-fluoro-3-methylpiperidine
PubChem CID97009658
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name(3S)-3-fluoro-3-methylpiperidine
SMILESC[C@]1(F)CCCNC1
InChIInChI=1S/C6H12FN/c1-6(7)3-2-4-8-5-6/h8H,2-5H2,1H3/t6-/m0/s1
InChIKeyZNUPLHUOEAEDIJ-LURJTMIESA-N
XLogP1.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3S)-3-fluoro-3-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-3-methylpiperidine?
The IUPAC name of (3S)-3-fluoro-3-methylpiperidine (CID 97009658) is (3S)-3-fluoro-3-methylpiperidine.
What is the SMILES notation for (3S)-3-fluoro-3-methylpiperidine?
The canonical SMILES for (3S)-3-fluoro-3-methylpiperidine is C[C@]1(F)CCCNC1.
What is the InChIKey of (3S)-3-fluoro-3-methylpiperidine?
The InChIKey is ZNUPLHUOEAEDIJ-LURJTMIESA-N. The full InChI is InChI=1S/C6H12FN/c1-6(7)3-2-4-8-5-6/h8H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (3S)-3-fluoro-3-methylpiperidine?
(3S)-3-fluoro-3-methylpiperidine has a molecular weight of 117.17 g/mol, XLogP of 1.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-3-methylpiperidine is sourced from PubChem (CID 97009658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).