3,3-difluoro-1-[2-(3-methylpiperidin-1-yl)ethyl]piperidine

C13H24F2N2 — CID 77147828

IUPAC3,3-difluoro-1-[2-(3-methylpiperidin-1-yl)ethyl]piperidine
SMILESCC1CCCN(CCN2CCCC(F)(F)C2)C1
InChIInChI=1S/C13H24F2N2/c1-12-4-2-6-16(10-12)8-9-17-7-3-5-13(14,15)11-17/h12H,2-11H2,1H3
InChIKeyBYWBIBDIPKJODG-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.45
Rot. Bonds3

About 3,3-difluoro-1-[2-(3-methylpiperidin-1-yl)ethyl]piperidine

3,3-difluoro-1-[2-(3-methylpiperidin-1-yl)ethyl]piperidine (PubChem CID 77147828) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 3,3-difluoro-1-[2-(3-methylpiperidin-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name3,3-difluoro-1-[2-(3-methylpiperidin-1-yl)ethyl]piperidine
PubChem CID77147828
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name3,3-difluoro-1-[2-(3-methylpiperidin-1-yl)ethyl]piperidine
SMILESCC1CCCN(CCN2CCCC(F)(F)C2)C1
InChIInChI=1S/C13H24F2N2/c1-12-4-2-6-16(10-12)8-9-17-7-3-5-13(14,15)11-17/h12H,2-11H2,1H3
InChIKeyBYWBIBDIPKJODG-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.45
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-[2-(3-methylpiperidin-1-yl)ethyl]piperidine?
The IUPAC name of 3,3-difluoro-1-[2-(3-methylpiperidin-1-yl)ethyl]piperidine (CID 77147828) is 3,3-difluoro-1-[2-(3-methylpiperidin-1-yl)ethyl]piperidine.
What is the SMILES notation for 3,3-difluoro-1-[2-(3-methylpiperidin-1-yl)ethyl]piperidine?
The canonical SMILES for 3,3-difluoro-1-[2-(3-methylpiperidin-1-yl)ethyl]piperidine is CC1CCCN(CCN2CCCC(F)(F)C2)C1.
What is the InChIKey of 3,3-difluoro-1-[2-(3-methylpiperidin-1-yl)ethyl]piperidine?
The InChIKey is BYWBIBDIPKJODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-12-4-2-6-16(10-12)8-9-17-7-3-5-13(14,15)11-17/h12H,2-11H2,1H3.
What are the key properties of 3,3-difluoro-1-[2-(3-methylpiperidin-1-yl)ethyl]piperidine?
3,3-difluoro-1-[2-(3-methylpiperidin-1-yl)ethyl]piperidine has a molecular weight of 246.34 g/mol, XLogP of 2.45, 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-[2-(3-methylpiperidin-1-yl)ethyl]piperidine is sourced from PubChem (CID 77147828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).