4-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine

C11H22F2N2 — CID 67812709

IUPAC4-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine
SMILESCNC(C)C(C)CN1CCCC(F)(F)C1
InChIInChI=1S/C11H22F2N2/c1-9(10(2)14-3)7-15-6-4-5-11(12,13)8-15/h9-10,14H,4-8H2,1-3H3
InChIKeyHOXDYGQMZUGSRY-UHFFFAOYSA-N
MW220.31 g/mol
LogP1.96
Rot. Bonds4

About 4-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine

4-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine (PubChem CID 67812709) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name4-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine
PubChem CID67812709
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name4-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine
SMILESCNC(C)C(C)CN1CCCC(F)(F)C1
InChIInChI=1S/C11H22F2N2/c1-9(10(2)14-3)7-15-6-4-5-11(12,13)8-15/h9-10,14H,4-8H2,1-3H3
InChIKeyHOXDYGQMZUGSRY-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine?
The IUPAC name of 4-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine (CID 67812709) is 4-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine.
What is the SMILES notation for 4-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine?
The canonical SMILES for 4-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine is CNC(C)C(C)CN1CCCC(F)(F)C1.
What is the InChIKey of 4-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine?
The InChIKey is HOXDYGQMZUGSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-9(10(2)14-3)7-15-6-4-5-11(12,13)8-15/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 4-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine?
4-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine has a molecular weight of 220.31 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 67812709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).