3-fluoro-1-[(3-methyloxan-2-yl)methyl]piperidine

C12H22FNO — CID 90985631

IUPAC3-fluoro-1-[(3-methyloxan-2-yl)methyl]piperidine
SMILESCC1CCCOC1CN1CCCC(F)C1
InChIInChI=1S/C12H22FNO/c1-10-4-3-7-15-12(10)9-14-6-2-5-11(13)8-14/h10-12H,2-9H2,1H3
InChIKeyZGHVRBNTJZVYGI-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.24
Rot. Bonds2

About 3-fluoro-1-[(3-methyloxan-2-yl)methyl]piperidine

3-fluoro-1-[(3-methyloxan-2-yl)methyl]piperidine (PubChem CID 90985631) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 3-fluoro-1-[(3-methyloxan-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3-fluoro-1-[(3-methyloxan-2-yl)methyl]piperidine
PubChem CID90985631
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name3-fluoro-1-[(3-methyloxan-2-yl)methyl]piperidine
SMILESCC1CCCOC1CN1CCCC(F)C1
InChIInChI=1S/C12H22FNO/c1-10-4-3-7-15-12(10)9-14-6-2-5-11(13)8-14/h10-12H,2-9H2,1H3
InChIKeyZGHVRBNTJZVYGI-UHFFFAOYSA-N
XLogP2.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[[(2S,3R,5S)-5-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine
CID 70882774
(3R)-1-[[(2R,3R)-4-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine
CID 70882986
(3S)-1-[[(2R,3S,4S)-4-fluoro-3-methyloxan-2-yl]methyl]-3-methylpiperidine
CID 70882985
ethane;2-ethyl-3-methyloxane
CID 166536348
(3-methyloxan-2-yl)methyl hypoiodite
CID 145419790
(3S)-3-fluoro-1-(2-methylpropyl)piperidine
CID 130368506
3-fluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 176562259
potassium 3-fluoro-1-(piperidin-1-id-4-ylmethyl)piperidine
CID 176562157
3-fluoro-1-(4-methylpentyl)piperidine
CID 58664939
3-fluoro-1-(2-methylsulfanylethyl)azepane
CID 130891345
3-methyl-1-(oxolan-2-ylmethyl)-1,4-diazepane
CID 64858824
3-fluoro-1-[[(3S,4S)-4-methylpyrrolidin-3-yl]methyl]pyrrolidine
CID 164657937

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-[(3-methyloxan-2-yl)methyl]piperidine?
The IUPAC name of 3-fluoro-1-[(3-methyloxan-2-yl)methyl]piperidine (CID 90985631) is 3-fluoro-1-[(3-methyloxan-2-yl)methyl]piperidine.
What is the SMILES notation for 3-fluoro-1-[(3-methyloxan-2-yl)methyl]piperidine?
The canonical SMILES for 3-fluoro-1-[(3-methyloxan-2-yl)methyl]piperidine is CC1CCCOC1CN1CCCC(F)C1.
What is the InChIKey of 3-fluoro-1-[(3-methyloxan-2-yl)methyl]piperidine?
The InChIKey is ZGHVRBNTJZVYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-10-4-3-7-15-12(10)9-14-6-2-5-11(13)8-14/h10-12H,2-9H2,1H3.
What are the key properties of 3-fluoro-1-[(3-methyloxan-2-yl)methyl]piperidine?
3-fluoro-1-[(3-methyloxan-2-yl)methyl]piperidine has a molecular weight of 215.31 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-[(3-methyloxan-2-yl)methyl]piperidine is sourced from PubChem (CID 90985631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).