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

C11H22F2N2 — CID 67772533

IUPAC(2S)-1-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine
SMILESCN[C@H](CN1CCCC(F)(F)C1)C(C)C
InChIInChI=1S/C11H22F2N2/c1-9(2)10(14-3)7-15-6-4-5-11(12,13)8-15/h9-10,14H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyIWNPTNMLBDOULJ-SNVBAGLBSA-N
MW220.31 g/mol
LogP1.96
Rot. Bonds4

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

(2S)-1-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine (PubChem CID 67772533) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (2S)-1-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine
PubChem CID67772533
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name(2S)-1-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine
SMILESCN[C@H](CN1CCCC(F)(F)C1)C(C)C
InChIInChI=1S/C11H22F2N2/c1-9(2)10(14-3)7-15-6-4-5-11(12,13)8-15/h9-10,14H,4-8H2,1-3H3/t10-/m1/s1
InChIKeyIWNPTNMLBDOULJ-SNVBAGLBSA-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 (2S)-1-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine?
The IUPAC name of (2S)-1-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine (CID 67772533) is (2S)-1-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine.
What is the SMILES notation for (2S)-1-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine?
The canonical SMILES for (2S)-1-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine is CN[C@H](CN1CCCC(F)(F)C1)C(C)C.
What is the InChIKey of (2S)-1-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine?
The InChIKey is IWNPTNMLBDOULJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-9(2)10(14-3)7-15-6-4-5-11(12,13)8-15/h9-10,14H,4-8H2,1-3H3/t10-/m1/s1.
What are the key properties of (2S)-1-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine?
(2S)-1-(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 (2S)-1-(3,3-difluoropiperidin-1-yl)-N,3-dimethylbutan-2-amine is sourced from PubChem (CID 67772533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).