3-(4-ethyl-2-fluorohexan-2-yl)piperidine

C13H26FN — CID 112564814

IUPAC3-(4-ethyl-2-fluorohexan-2-yl)piperidine
SMILESCCC(CC)CC(C)(F)C1CCCNC1
InChIInChI=1S/C13H26FN/c1-4-11(5-2)9-13(3,14)12-7-6-8-15-10-12/h11-12,15H,4-10H2,1-3H3
InChIKeyXBHSFFDSIAVTTE-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.54
Rot. Bonds5

About 3-(4-ethyl-2-fluorohexan-2-yl)piperidine

3-(4-ethyl-2-fluorohexan-2-yl)piperidine (PubChem CID 112564814) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is 3-(4-ethyl-2-fluorohexan-2-yl)piperidine.

Molecular Properties

Compound Name3-(4-ethyl-2-fluorohexan-2-yl)piperidine
PubChem CID112564814
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Name3-(4-ethyl-2-fluorohexan-2-yl)piperidine
SMILESCCC(CC)CC(C)(F)C1CCCNC1
InChIInChI=1S/C13H26FN/c1-4-11(5-2)9-13(3,14)12-7-6-8-15-10-12/h11-12,15H,4-10H2,1-3H3
InChIKeyXBHSFFDSIAVTTE-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-fluoro-2-[(3S)-piperidin-3-yl]propan-1-ol
CID 171842824
2-fluoro-2-piperidin-3-ylpropan-1-amine
CID 105431462
3-(2-fluoro-1-methoxypropan-2-yl)piperidine
CID 112564846
5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one
CID 116611228
3-(1,1-difluoropropyl)piperidine;hydrochloride
CID 115058466
3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564764
3-(1-cyclopropyl-1-fluoroethyl)piperidine
CID 112564879
(3R)-3-tert-butylpiperidine
CID 59772800
2-piperidin-3-ylbutan-2-ol
CID 63586087
3-(1,1-difluoro-2-methylpropyl)piperidine
CID 83855168
3-[2-fluoro-1-(4-methylphenyl)propan-2-yl]piperidine
CID 112564824
3-(2-fluoro-1-phenylpropan-2-yl)piperidine
CID 83853692

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-2-fluorohexan-2-yl)piperidine?
The IUPAC name of 3-(4-ethyl-2-fluorohexan-2-yl)piperidine (CID 112564814) is 3-(4-ethyl-2-fluorohexan-2-yl)piperidine.
What is the SMILES notation for 3-(4-ethyl-2-fluorohexan-2-yl)piperidine?
The canonical SMILES for 3-(4-ethyl-2-fluorohexan-2-yl)piperidine is CCC(CC)CC(C)(F)C1CCCNC1.
What is the InChIKey of 3-(4-ethyl-2-fluorohexan-2-yl)piperidine?
The InChIKey is XBHSFFDSIAVTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN/c1-4-11(5-2)9-13(3,14)12-7-6-8-15-10-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 3-(4-ethyl-2-fluorohexan-2-yl)piperidine?
3-(4-ethyl-2-fluorohexan-2-yl)piperidine has a molecular weight of 215.36 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-2-fluorohexan-2-yl)piperidine is sourced from PubChem (CID 112564814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).