3,3-difluoro-1-[(5-propan-2-ylthiophen-2-yl)methyl]piperidine

C13H19F2NS — CID 58115843

IUPAC3,3-difluoro-1-[(5-propan-2-ylthiophen-2-yl)methyl]piperidine
SMILESCC(C)c1ccc(CN2CCCC(F)(F)C2)s1
InChIInChI=1S/C13H19F2NS/c1-10(2)12-5-4-11(17-12)8-16-7-3-6-13(14,15)9-16/h4-5,10H,3,6-9H2,1-2H3
InChIKeyVZHLHTHPMYZEOA-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.10
Rot. Bonds3

About 3,3-difluoro-1-[(5-propan-2-ylthiophen-2-yl)methyl]piperidine

3,3-difluoro-1-[(5-propan-2-ylthiophen-2-yl)methyl]piperidine (PubChem CID 58115843) has the molecular formula C13H19F2NS and a molecular weight of 259.37 g/mol. Its IUPAC name is 3,3-difluoro-1-[(5-propan-2-ylthiophen-2-yl)methyl]piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-[(5-propan-2-ylthiophen-2-yl)methyl]piperidine
PubChem CID58115843
Molecular FormulaC13H19F2NS
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name3,3-difluoro-1-[(5-propan-2-ylthiophen-2-yl)methyl]piperidine
SMILESCC(C)c1ccc(CN2CCCC(F)(F)C2)s1
InChIInChI=1S/C13H19F2NS/c1-10(2)12-5-4-11(17-12)8-16-7-3-6-13(14,15)9-16/h4-5,10H,3,6-9H2,1-2H3
InChIKeyVZHLHTHPMYZEOA-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-[(5-propan-2-ylthiophen-2-yl)methyl]piperidine?
The IUPAC name of 3,3-difluoro-1-[(5-propan-2-ylthiophen-2-yl)methyl]piperidine (CID 58115843) is 3,3-difluoro-1-[(5-propan-2-ylthiophen-2-yl)methyl]piperidine.
What is the SMILES notation for 3,3-difluoro-1-[(5-propan-2-ylthiophen-2-yl)methyl]piperidine?
The canonical SMILES for 3,3-difluoro-1-[(5-propan-2-ylthiophen-2-yl)methyl]piperidine is CC(C)c1ccc(CN2CCCC(F)(F)C2)s1.
What is the InChIKey of 3,3-difluoro-1-[(5-propan-2-ylthiophen-2-yl)methyl]piperidine?
The InChIKey is VZHLHTHPMYZEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NS/c1-10(2)12-5-4-11(17-12)8-16-7-3-6-13(14,15)9-16/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 3,3-difluoro-1-[(5-propan-2-ylthiophen-2-yl)methyl]piperidine?
3,3-difluoro-1-[(5-propan-2-ylthiophen-2-yl)methyl]piperidine has a molecular weight of 259.37 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-[(5-propan-2-ylthiophen-2-yl)methyl]piperidine is sourced from PubChem (CID 58115843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).