(3S,4S)-3-fluoro-4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine

C13H24FNO — CID 70882712

IUPAC(3S,4S)-3-fluoro-4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine
SMILESC[C@@H]1CCCO[C@@H]1CN1CC[C@H](C)[C@H](F)C1
InChIInChI=1S/C13H24FNO/c1-10-5-6-15(8-12(10)14)9-13-11(2)4-3-7-16-13/h10-13H,3-9H2,1-2H3/t10-,11+,12+,13+/m0/s1
InChIKeyQZJGVOHPBVYNJP-UMSGYPCISA-N
MW229.34 g/mol
LogP2.48
Rot. Bonds2

About (3S,4S)-3-fluoro-4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine

(3S,4S)-3-fluoro-4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine (PubChem CID 70882712) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine
PubChem CID70882712
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name(3S,4S)-3-fluoro-4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine
SMILESC[C@@H]1CCCO[C@@H]1CN1CC[C@H](C)[C@H](F)C1
InChIInChI=1S/C13H24FNO/c1-10-5-6-15(8-12(10)14)9-13-11(2)4-3-7-16-13/h10-13H,3-9H2,1-2H3/t10-,11+,12+,13+/m0/s1
InChIKeyQZJGVOHPBVYNJP-UMSGYPCISA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine?
The IUPAC name of (3S,4S)-3-fluoro-4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine (CID 70882712) is (3S,4S)-3-fluoro-4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine.
What is the SMILES notation for (3S,4S)-3-fluoro-4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine?
The canonical SMILES for (3S,4S)-3-fluoro-4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine is C[C@@H]1CCCO[C@@H]1CN1CC[C@H](C)[C@H](F)C1.
What is the InChIKey of (3S,4S)-3-fluoro-4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine?
The InChIKey is QZJGVOHPBVYNJP-UMSGYPCISA-N. The full InChI is InChI=1S/C13H24FNO/c1-10-5-6-15(8-12(10)14)9-13-11(2)4-3-7-16-13/h10-13H,3-9H2,1-2H3/t10-,11+,12+,13+/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine?
(3S,4S)-3-fluoro-4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine has a molecular weight of 229.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-4-methyl-1-[[(2S,3R)-3-methyloxan-2-yl]methyl]piperidine is sourced from PubChem (CID 70882712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).