1-(3-fluorooxan-4-yl)-4-methylpiperidine

C11H20FNO — CID 121366966

IUPAC1-(3-fluorooxan-4-yl)-4-methylpiperidine
SMILESCC1CCN(C2CCOCC2F)CC1
InChIInChI=1S/C11H20FNO/c1-9-2-5-13(6-3-9)11-4-7-14-8-10(11)12/h9-11H,2-8H2,1H3
InChIKeyMGXYMHAZOJIGNA-UHFFFAOYSA-N
MW201.28 g/mol
LogP1.85
Rot. Bonds1

About 1-(3-fluorooxan-4-yl)-4-methylpiperidine

1-(3-fluorooxan-4-yl)-4-methylpiperidine (PubChem CID 121366966) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 1-(3-fluorooxan-4-yl)-4-methylpiperidine.

Molecular Properties

Compound Name1-(3-fluorooxan-4-yl)-4-methylpiperidine
PubChem CID121366966
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name1-(3-fluorooxan-4-yl)-4-methylpiperidine
SMILESCC1CCN(C2CCOCC2F)CC1
InChIInChI=1S/C11H20FNO/c1-9-2-5-13(6-3-9)11-4-7-14-8-10(11)12/h9-11H,2-8H2,1H3
InChIKeyMGXYMHAZOJIGNA-UHFFFAOYSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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

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Related Compounds

N,1-dimethyl-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]-4-piperidinamine
CID 39741232
3-Fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine
CID 126790286
4-Fluoro-1-(oxan-4-yl)piperidine
CID 68317224
4-Tert-butyl-1-(3-fluorooxan-4-yl)piperidine
CID 118084454
4-tert-butyl-1-[(3S,4S)-3-fluorooxan-4-yl]piperidine
CID 118084479
1-(3-Fluorooxan-4-yl)-4-propan-2-ylpiperidine
CID 123280602
3,3-Difluoro-4-methyl-1-(oxan-4-yl)piperidine;ethane
CID 144507261
4-Ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine
CID 144714352
4-Fluoro-4-methyl-1-(oxan-4-yl)piperidine
CID 145493424
1-[(3S,4S)-3-fluorooxan-4-yl]-4-methylpiperidine
CID 145698218
1-(3-Ethoxypropyl)-4-fluoro-4-methylpiperidine
CID 147932437
1-(3-Butoxypropyl)-4-fluoro-4-methylpiperidine
CID 155353287

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorooxan-4-yl)-4-methylpiperidine?
The IUPAC name of 1-(3-fluorooxan-4-yl)-4-methylpiperidine (CID 121366966) is 1-(3-fluorooxan-4-yl)-4-methylpiperidine.
What is the SMILES notation for 1-(3-fluorooxan-4-yl)-4-methylpiperidine?
The canonical SMILES for 1-(3-fluorooxan-4-yl)-4-methylpiperidine is CC1CCN(C2CCOCC2F)CC1.
What is the InChIKey of 1-(3-fluorooxan-4-yl)-4-methylpiperidine?
The InChIKey is MGXYMHAZOJIGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-9-2-5-13(6-3-9)11-4-7-14-8-10(11)12/h9-11H,2-8H2,1H3.
What are the key properties of 1-(3-fluorooxan-4-yl)-4-methylpiperidine?
1-(3-fluorooxan-4-yl)-4-methylpiperidine has a molecular weight of 201.28 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorooxan-4-yl)-4-methylpiperidine is sourced from PubChem (CID 121366966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).