5,5-difluoro-N,N,1-trimethylpiperidin-3-amine

C8H16F2N2 — CID 162620550

IUPAC5,5-difluoro-N,N,1-trimethylpiperidin-3-amine
SMILESCN1CC(N(C)C)CC(F)(F)C1
InChIInChI=1S/C8H16F2N2/c1-11(2)7-4-8(9,10)6-12(3)5-7/h7H,4-6H2,1-3H3
InChIKeyUZNLVKSTFDANMK-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.89
Rot. Bonds1

About 5,5-difluoro-N,N,1-trimethylpiperidin-3-amine

5,5-difluoro-N,N,1-trimethylpiperidin-3-amine (PubChem CID 162620550) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 5,5-difluoro-N,N,1-trimethylpiperidin-3-amine.

Molecular Properties

Compound Name5,5-difluoro-N,N,1-trimethylpiperidin-3-amine
PubChem CID162620550
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name5,5-difluoro-N,N,1-trimethylpiperidin-3-amine
SMILESCN1CC(N(C)C)CC(F)(F)C1
InChIInChI=1S/C8H16F2N2/c1-11(2)7-4-8(9,10)6-12(3)5-7/h7H,4-6H2,1-3H3
InChIKeyUZNLVKSTFDANMK-UHFFFAOYSA-N
XLogP0.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-N,N,1-trimethylpiperidin-3-amine?
The IUPAC name of 5,5-difluoro-N,N,1-trimethylpiperidin-3-amine (CID 162620550) is 5,5-difluoro-N,N,1-trimethylpiperidin-3-amine.
What is the SMILES notation for 5,5-difluoro-N,N,1-trimethylpiperidin-3-amine?
The canonical SMILES for 5,5-difluoro-N,N,1-trimethylpiperidin-3-amine is CN1CC(N(C)C)CC(F)(F)C1.
What is the InChIKey of 5,5-difluoro-N,N,1-trimethylpiperidin-3-amine?
The InChIKey is UZNLVKSTFDANMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-11(2)7-4-8(9,10)6-12(3)5-7/h7H,4-6H2,1-3H3.
What are the key properties of 5,5-difluoro-N,N,1-trimethylpiperidin-3-amine?
5,5-difluoro-N,N,1-trimethylpiperidin-3-amine has a molecular weight of 178.23 g/mol, XLogP of 0.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-N,N,1-trimethylpiperidin-3-amine is sourced from PubChem (CID 162620550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).