(3S)-3-fluoro-3-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidine

C11H20FNO — CID 129349402

IUPAC(3S)-3-fluoro-3-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidine
SMILESC[C@]1(F)CCCN(C[C@@H]2CCOC2)C1
InChIInChI=1S/C11H20FNO/c1-11(12)4-2-5-13(9-11)7-10-3-6-14-8-10/h10H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyHTKAGWQFCIBTJY-QWRGUYRKSA-N
MW201.28 g/mol
LogP1.85
Rot. Bonds2

About (3S)-3-fluoro-3-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidine

(3S)-3-fluoro-3-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidine (PubChem CID 129349402) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (3S)-3-fluoro-3-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-fluoro-3-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidine
PubChem CID129349402
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(3S)-3-fluoro-3-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidine
SMILESC[C@]1(F)CCCN(C[C@@H]2CCOC2)C1
InChIInChI=1S/C11H20FNO/c1-11(12)4-2-5-13(9-11)7-10-3-6-14-8-10/h10H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyHTKAGWQFCIBTJY-QWRGUYRKSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-3-fluoro-3-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidine 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-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidine?
The IUPAC name of (3S)-3-fluoro-3-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidine (CID 129349402) is (3S)-3-fluoro-3-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidine.
What is the SMILES notation for (3S)-3-fluoro-3-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidine?
The canonical SMILES for (3S)-3-fluoro-3-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidine is C[C@]1(F)CCCN(C[C@@H]2CCOC2)C1.
What is the InChIKey of (3S)-3-fluoro-3-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidine?
The InChIKey is HTKAGWQFCIBTJY-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H20FNO/c1-11(12)4-2-5-13(9-11)7-10-3-6-14-8-10/h10H,2-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of (3S)-3-fluoro-3-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidine?
(3S)-3-fluoro-3-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidine has a molecular weight of 201.28 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-3-methyl-1-[[(3S)-oxolan-3-yl]methyl]piperidine is sourced from PubChem (CID 129349402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).