(3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine

C11H20FNO — CID 164740933

IUPAC(3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1CCN(C2COC2)C[C@@H]1F
InChIInChI=1S/C11H20FNO/c1-8(2)10-3-4-13(5-11(10)12)9-6-14-7-9/h8-11H,3-7H2,1-2H3/t10-,11-/m0/s1
InChIKeyGGBVPXVORHXFBA-QWRGUYRKSA-N
MW201.28 g/mol
LogP1.70
Rot. Bonds2

About (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine

(3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine (PubChem CID 164740933) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
PubChem CID164740933
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name(3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
SMILESCC(C)[C@@H]1CCN(C2COC2)C[C@@H]1F
InChIInChI=1S/C11H20FNO/c1-8(2)10-3-4-13(5-11(10)12)9-6-14-7-9/h8-11H,3-7H2,1-2H3/t10-,11-/m0/s1
InChIKeyGGBVPXVORHXFBA-QWRGUYRKSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-Dimethylpentyl)morpholine
CID 15370628
4-Fluoro-1-(2-methoxyethyl)-4-methylpiperidine
CID 59343303
4-Propan-2-yl-1-[2-(trifluoromethoxy)ethyl]piperidine
CID 129066643
4,4-Difluoro-3-methyl-1-(oxetan-3-yl)piperidine
CID 129270060
3-Fluoro-1-(2-methoxyethyl)-4-methylpiperidine
CID 131199822
4,4-Difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine
CID 137391663
4-Fluoro-4-methyl-1-(oxetan-3-yl)piperidine
CID 137512520
3-Ethyl-4,4-difluoro-1-(oxetan-3-yl)piperidine
CID 138617821
3,3-Difluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine
CID 138617857
4-Ethyl-3,3-difluoro-1-(oxetan-3-yl)piperidine
CID 138751967
(3S,4S)-3-fluoro-4-methyl-1-(oxetan-3-yl)piperidine
CID 139353778
(3S)-4,4-difluoro-1-(oxetan-3-yl)-3-propan-2-ylpiperidine
CID 140943544

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine?
The IUPAC name of (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine (CID 164740933) is (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine.
What is the SMILES notation for (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine?
The canonical SMILES for (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine is CC(C)[C@@H]1CCN(C2COC2)C[C@@H]1F.
What is the InChIKey of (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine?
The InChIKey is GGBVPXVORHXFBA-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H20FNO/c1-8(2)10-3-4-13(5-11(10)12)9-6-14-7-9/h8-11H,3-7H2,1-2H3/t10-,11-/m0/s1.
What are the key properties of (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine?
(3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine has a molecular weight of 201.28 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-1-(oxetan-3-yl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 164740933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).