4-ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine

C13H24FNO — CID 144714352

IUPAC4-ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine
SMILESCCC1(F)CCN(CC2CCOCC2)CC1
InChIInChI=1S/C13H24FNO/c1-2-13(14)5-7-15(8-6-13)11-12-3-9-16-10-4-12/h12H,2-11H2,1H3
InChIKeyQVPVXPYQSKHTRW-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.63
Rot. Bonds3

About 4-ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine

4-ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine (PubChem CID 144714352) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 4-ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine.

Molecular Properties

Compound Name4-ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine
PubChem CID144714352
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name4-ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine
SMILESCCC1(F)CCN(CC2CCOCC2)CC1
InChIInChI=1S/C13H24FNO/c1-2-13(14)5-7-15(8-6-13)11-12-3-9-16-10-4-12/h12H,2-11H2,1H3
InChIKeyQVPVXPYQSKHTRW-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-3-methyl-1-(oxan-3-ylmethyl)piperidine
CID 126790286
4-[Ethoxy(difluoro)methyl]-1-ethylpiperidine
CID 20723957
4-Fluoro-4-(methoxymethyl)-1-methylpiperidine
CID 57580403
4-Fluoro-1-(2-fluoroethyl)-4-(propan-2-yloxymethyl)piperidine
CID 58303633
1-Ethyl-4-fluoro-4-(propan-2-yloxymethyl)piperidine
CID 58303663
4-Fluoro-1-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
CID 58365091
4-(Ethoxymethyl)-1-(3-fluoropropyl)-4-methylpiperidine
CID 68275061
4-(Ethoxymethyl)-4-fluoro-1-methylpiperidine
CID 68275293
1-Ethyl-4-fluoro-4-(methoxymethyl)piperidine
CID 68321528
4-Fluoro-1-(2-fluoroethyl)-4-(methoxymethyl)piperidine
CID 88936124
1-[(4-Fluorooxan-4-yl)methyl]-4-methylpiperazine
CID 118973760
1-(3-Fluorooxan-4-yl)-4-methylpiperidine
CID 121366966

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine?
The IUPAC name of 4-ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine (CID 144714352) is 4-ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine.
What is the SMILES notation for 4-ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine?
The canonical SMILES for 4-ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine is CCC1(F)CCN(CC2CCOCC2)CC1.
What is the InChIKey of 4-ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine?
The InChIKey is QVPVXPYQSKHTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-2-13(14)5-7-15(8-6-13)11-12-3-9-16-10-4-12/h12H,2-11H2,1H3.
What are the key properties of 4-ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine?
4-ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine has a molecular weight of 229.34 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-fluoro-1-(oxan-4-ylmethyl)piperidine is sourced from PubChem (CID 144714352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).