3-[1-fluoro-3-(oxolan-2-yl)propyl]piperidine

C12H22FNO — CID 112565493

IUPAC3-[1-fluoro-3-(oxolan-2-yl)propyl]piperidine
SMILESFC(CCC1CCCO1)C1CCCNC1
InChIInChI=1S/C12H22FNO/c13-12(10-3-1-7-14-9-10)6-5-11-4-2-8-15-11/h10-12,14H,1-9H2
InChIKeyFFTHTZRCTVURTK-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.28
Rot. Bonds4

About 3-[1-fluoro-3-(oxolan-2-yl)propyl]piperidine

3-[1-fluoro-3-(oxolan-2-yl)propyl]piperidine (PubChem CID 112565493) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 3-[1-fluoro-3-(oxolan-2-yl)propyl]piperidine.

Molecular Properties

Compound Name3-[1-fluoro-3-(oxolan-2-yl)propyl]piperidine
PubChem CID112565493
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name3-[1-fluoro-3-(oxolan-2-yl)propyl]piperidine
SMILESFC(CCC1CCCO1)C1CCCNC1
InChIInChI=1S/C12H22FNO/c13-12(10-3-1-7-14-9-10)6-5-11-4-2-8-15-11/h10-12,14H,1-9H2
InChIKeyFFTHTZRCTVURTK-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-fluoro-3-(oxolan-2-yl)propyl]piperidine?
The IUPAC name of 3-[1-fluoro-3-(oxolan-2-yl)propyl]piperidine (CID 112565493) is 3-[1-fluoro-3-(oxolan-2-yl)propyl]piperidine.
What is the SMILES notation for 3-[1-fluoro-3-(oxolan-2-yl)propyl]piperidine?
The canonical SMILES for 3-[1-fluoro-3-(oxolan-2-yl)propyl]piperidine is FC(CCC1CCCO1)C1CCCNC1.
What is the InChIKey of 3-[1-fluoro-3-(oxolan-2-yl)propyl]piperidine?
The InChIKey is FFTHTZRCTVURTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c13-12(10-3-1-7-14-9-10)6-5-11-4-2-8-15-11/h10-12,14H,1-9H2.
What are the key properties of 3-[1-fluoro-3-(oxolan-2-yl)propyl]piperidine?
3-[1-fluoro-3-(oxolan-2-yl)propyl]piperidine has a molecular weight of 215.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-fluoro-3-(oxolan-2-yl)propyl]piperidine is sourced from PubChem (CID 112565493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).