3-[2-fluoro-4-(oxolan-2-yl)butan-2-yl]piperidine

C13H24FNO — CID 112564958

IUPAC3-[2-fluoro-4-(oxolan-2-yl)butan-2-yl]piperidine
SMILESCC(F)(CCC1CCCO1)C1CCCNC1
InChIInChI=1S/C13H24FNO/c1-13(14,11-4-2-8-15-10-11)7-6-12-5-3-9-16-12/h11-12,15H,2-10H2,1H3
InChIKeyMLFKEHGFMRTVJE-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.67
Rot. Bonds4

About 3-[2-fluoro-4-(oxolan-2-yl)butan-2-yl]piperidine

3-[2-fluoro-4-(oxolan-2-yl)butan-2-yl]piperidine (PubChem CID 112564958) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-[2-fluoro-4-(oxolan-2-yl)butan-2-yl]piperidine.

Molecular Properties

Compound Name3-[2-fluoro-4-(oxolan-2-yl)butan-2-yl]piperidine
PubChem CID112564958
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name3-[2-fluoro-4-(oxolan-2-yl)butan-2-yl]piperidine
SMILESCC(F)(CCC1CCCO1)C1CCCNC1
InChIInChI=1S/C13H24FNO/c1-13(14,11-4-2-8-15-10-11)7-6-12-5-3-9-16-12/h11-12,15H,2-10H2,1H3
InChIKeyMLFKEHGFMRTVJE-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(oxolan-2-yl)butan-2-yl]piperidine?
The IUPAC name of 3-[2-fluoro-4-(oxolan-2-yl)butan-2-yl]piperidine (CID 112564958) is 3-[2-fluoro-4-(oxolan-2-yl)butan-2-yl]piperidine.
What is the SMILES notation for 3-[2-fluoro-4-(oxolan-2-yl)butan-2-yl]piperidine?
The canonical SMILES for 3-[2-fluoro-4-(oxolan-2-yl)butan-2-yl]piperidine is CC(F)(CCC1CCCO1)C1CCCNC1.
What is the InChIKey of 3-[2-fluoro-4-(oxolan-2-yl)butan-2-yl]piperidine?
The InChIKey is MLFKEHGFMRTVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-13(14,11-4-2-8-15-10-11)7-6-12-5-3-9-16-12/h11-12,15H,2-10H2,1H3.
What are the key properties of 3-[2-fluoro-4-(oxolan-2-yl)butan-2-yl]piperidine?
3-[2-fluoro-4-(oxolan-2-yl)butan-2-yl]piperidine has a molecular weight of 229.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(oxolan-2-yl)butan-2-yl]piperidine is sourced from PubChem (CID 112564958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).