2-(3,3-difluoropiperidin-1-yl)-2-methylpropan-1-amine

C9H18F2N2 — CID 118185604

IUPAC2-(3,3-difluoropiperidin-1-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCCC(F)(F)C1
InChIInChI=1S/C9H18F2N2/c1-8(2,6-12)13-5-3-4-9(10,11)7-13/h3-7,12H2,1-2H3
InChIKeyWYLWJJBSACUEHR-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.45
Rot. Bonds2

About 2-(3,3-difluoropiperidin-1-yl)-2-methylpropan-1-amine

2-(3,3-difluoropiperidin-1-yl)-2-methylpropan-1-amine (PubChem CID 118185604) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-(3,3-difluoropiperidin-1-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3,3-difluoropiperidin-1-yl)-2-methylpropan-1-amine
PubChem CID118185604
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name2-(3,3-difluoropiperidin-1-yl)-2-methylpropan-1-amine
SMILESCC(C)(CN)N1CCCC(F)(F)C1
InChIInChI=1S/C9H18F2N2/c1-8(2,6-12)13-5-3-4-9(10,11)7-13/h3-7,12H2,1-2H3
InChIKeyWYLWJJBSACUEHR-UHFFFAOYSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropiperidin-1-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(3,3-difluoropiperidin-1-yl)-2-methylpropan-1-amine (CID 118185604) is 2-(3,3-difluoropiperidin-1-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(3,3-difluoropiperidin-1-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(3,3-difluoropiperidin-1-yl)-2-methylpropan-1-amine is CC(C)(CN)N1CCCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluoropiperidin-1-yl)-2-methylpropan-1-amine?
The InChIKey is WYLWJJBSACUEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-8(2,6-12)13-5-3-4-9(10,11)7-13/h3-7,12H2,1-2H3.
What are the key properties of 2-(3,3-difluoropiperidin-1-yl)-2-methylpropan-1-amine?
2-(3,3-difluoropiperidin-1-yl)-2-methylpropan-1-amine has a molecular weight of 192.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoropiperidin-1-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 118185604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).