4-(3,3-difluorobutyl)piperidine

C9H17F2N — CID 84656072

IUPAC4-(3,3-difluorobutyl)piperidine
SMILESCC(F)(F)CCC1CCNCC1
InChIInChI=1S/C9H17F2N/c1-9(10,11)5-2-8-3-6-12-7-4-8/h8,12H,2-7H2,1H3
InChIKeyLLZZUXJAGWPESL-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.42
Rot. Bonds3

About 4-(3,3-difluorobutyl)piperidine

4-(3,3-difluorobutyl)piperidine (PubChem CID 84656072) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 4-(3,3-difluorobutyl)piperidine.

Molecular Properties

Compound Name4-(3,3-difluorobutyl)piperidine
PubChem CID84656072
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name4-(3,3-difluorobutyl)piperidine
SMILESCC(F)(F)CCC1CCNCC1
InChIInChI=1S/C9H17F2N/c1-9(10,11)5-2-8-3-6-12-7-4-8/h8,12H,2-7H2,1H3
InChIKeyLLZZUXJAGWPESL-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorobutyl)piperidine?
The IUPAC name of 4-(3,3-difluorobutyl)piperidine (CID 84656072) is 4-(3,3-difluorobutyl)piperidine.
What is the SMILES notation for 4-(3,3-difluorobutyl)piperidine?
The canonical SMILES for 4-(3,3-difluorobutyl)piperidine is CC(F)(F)CCC1CCNCC1.
What is the InChIKey of 4-(3,3-difluorobutyl)piperidine?
The InChIKey is LLZZUXJAGWPESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-9(10,11)5-2-8-3-6-12-7-4-8/h8,12H,2-7H2,1H3.
What are the key properties of 4-(3,3-difluorobutyl)piperidine?
4-(3,3-difluorobutyl)piperidine has a molecular weight of 177.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorobutyl)piperidine is sourced from PubChem (CID 84656072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).