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

C13H24FNO — CID 70882985

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

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

(3S)-1-[[(2R,3S,4S)-4-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine (PubChem CID 70882985) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is (3S)-1-[[(2R,3S,4S)-4-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3S)-1-[[(2R,3S,4S)-4-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine
PubChem CID70882985
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name(3S)-1-[[(2R,3S,4S)-4-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine
SMILESC[C@H]1CCCN(C[C@@H]2OCC[C@H](F)[C@H]2C)C1
InChIInChI=1S/C13H24FNO/c1-10-4-3-6-15(8-10)9-13-11(2)12(14)5-7-16-13/h10-13H,3-9H2,1-2H3/t10-,11+,12-,13-/m0/s1
InChIKeyXHHVWCYIYDXVIF-RNJOBUHISA-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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Related Compounds

(3R)-1-[[(2R,3R)-4-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine
CID 70882986
(3R)-1-[[(2S,3R,5S)-5-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine
CID 70882774
3-fluoro-1-[(3-methyloxan-2-yl)methyl]piperidine
CID 90985631
3-methyl-1-(oxolan-3-ylmethyl)piperidine
CID 77147821
3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane
CID 146534303
ethane;1-ethyl-3-methylpiperidine
CID 91361629
3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 64736017
1-(3-fluoropropyl)-3-methylpiperidine
CID 127497514
1-(3,3-difluoropropyl)-3-methylpiperidine
CID 176946116
1-(2,3-dimethylbutyl)-3-methylpiperidine
CID 174315397
3-methyl-1-propylpiperidine;propane
CID 145147959
ethane;3-methyl-1-propylpiperidine
CID 156729460

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[(2R,3S,4S)-4-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine?
The IUPAC name of (3S)-1-[[(2R,3S,4S)-4-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine (CID 70882985) is (3S)-1-[[(2R,3S,4S)-4-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine.
What is the SMILES notation for (3S)-1-[[(2R,3S,4S)-4-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine?
The canonical SMILES for (3S)-1-[[(2R,3S,4S)-4-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine is C[C@H]1CCCN(C[C@@H]2OCC[C@H](F)[C@H]2C)C1.
What is the InChIKey of (3S)-1-[[(2R,3S,4S)-4-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine?
The InChIKey is XHHVWCYIYDXVIF-RNJOBUHISA-N. The full InChI is InChI=1S/C13H24FNO/c1-10-4-3-6-15(8-10)9-13-11(2)12(14)5-7-16-13/h10-13H,3-9H2,1-2H3/t10-,11+,12-,13-/m0/s1.
What are the key properties of (3S)-1-[[(2R,3S,4S)-4-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine?
(3S)-1-[[(2R,3S,4S)-4-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine 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)-1-[[(2R,3S,4S)-4-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine is sourced from PubChem (CID 70882985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).