3-[2-fluoro-5-(oxolan-2-yl)pentan-2-yl]piperidine

C14H26FNO — CID 112564774

IUPAC3-[2-fluoro-5-(oxolan-2-yl)pentan-2-yl]piperidine
SMILESCC(F)(CCCC1CCCO1)C1CCCNC1
InChIInChI=1S/C14H26FNO/c1-14(15,12-5-3-9-16-11-12)8-2-6-13-7-4-10-17-13/h12-13,16H,2-11H2,1H3
InChIKeyFTINZWOIBOITCJ-UHFFFAOYSA-N
MW243.37 g/mol
LogP3.06
Rot. Bonds5

About 3-[2-fluoro-5-(oxolan-2-yl)pentan-2-yl]piperidine

3-[2-fluoro-5-(oxolan-2-yl)pentan-2-yl]piperidine (PubChem CID 112564774) has the molecular formula C14H26FNO and a molecular weight of 243.37 g/mol. Its IUPAC name is 3-[2-fluoro-5-(oxolan-2-yl)pentan-2-yl]piperidine.

Molecular Properties

Compound Name3-[2-fluoro-5-(oxolan-2-yl)pentan-2-yl]piperidine
PubChem CID112564774
Molecular FormulaC14H26FNO
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC Name3-[2-fluoro-5-(oxolan-2-yl)pentan-2-yl]piperidine
SMILESCC(F)(CCCC1CCCO1)C1CCCNC1
InChIInChI=1S/C14H26FNO/c1-14(15,12-5-3-9-16-11-12)8-2-6-13-7-4-10-17-13/h12-13,16H,2-11H2,1H3
InChIKeyFTINZWOIBOITCJ-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-(oxolan-2-yl)pentan-2-yl]piperidine?
The IUPAC name of 3-[2-fluoro-5-(oxolan-2-yl)pentan-2-yl]piperidine (CID 112564774) is 3-[2-fluoro-5-(oxolan-2-yl)pentan-2-yl]piperidine.
What is the SMILES notation for 3-[2-fluoro-5-(oxolan-2-yl)pentan-2-yl]piperidine?
The canonical SMILES for 3-[2-fluoro-5-(oxolan-2-yl)pentan-2-yl]piperidine is CC(F)(CCCC1CCCO1)C1CCCNC1.
What is the InChIKey of 3-[2-fluoro-5-(oxolan-2-yl)pentan-2-yl]piperidine?
The InChIKey is FTINZWOIBOITCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO/c1-14(15,12-5-3-9-16-11-12)8-2-6-13-7-4-10-17-13/h12-13,16H,2-11H2,1H3.
What are the key properties of 3-[2-fluoro-5-(oxolan-2-yl)pentan-2-yl]piperidine?
3-[2-fluoro-5-(oxolan-2-yl)pentan-2-yl]piperidine has a molecular weight of 243.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-(oxolan-2-yl)pentan-2-yl]piperidine is sourced from PubChem (CID 112564774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).