3-fluoro-4-propylpiperidine

C8H16FN — CID 77477412

IUPAC3-fluoro-4-propylpiperidine
SMILESCCCC1CCNCC1F
InChIInChI=1S/C8H16FN/c1-2-3-7-4-5-10-6-8(7)9/h7-8,10H,2-6H2,1H3
InChIKeyQSORVUYYXARQNH-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.73
Rot. Bonds2

About 3-fluoro-4-propylpiperidine

3-fluoro-4-propylpiperidine (PubChem CID 77477412) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 3-fluoro-4-propylpiperidine.

Molecular Properties

Compound Name3-fluoro-4-propylpiperidine
PubChem CID77477412
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name3-fluoro-4-propylpiperidine
SMILESCCCC1CCNCC1F
InChIInChI=1S/C8H16FN/c1-2-3-7-4-5-10-6-8(7)9/h7-8,10H,2-6H2,1H3
InChIKeyQSORVUYYXARQNH-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-propylpiperidine?
The IUPAC name of 3-fluoro-4-propylpiperidine (CID 77477412) is 3-fluoro-4-propylpiperidine.
What is the SMILES notation for 3-fluoro-4-propylpiperidine?
The canonical SMILES for 3-fluoro-4-propylpiperidine is CCCC1CCNCC1F.
What is the InChIKey of 3-fluoro-4-propylpiperidine?
The InChIKey is QSORVUYYXARQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-2-3-7-4-5-10-6-8(7)9/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-fluoro-4-propylpiperidine?
3-fluoro-4-propylpiperidine has a molecular weight of 145.22 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-propylpiperidine is sourced from PubChem (CID 77477412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).