(5,5-difluoro-2-methylpiperidin-3-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium

C12H23F2N2O2+ — CID 153331460

IUPAC(5,5-difluoro-2-methylpiperidin-3-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium
SMILESCC1NCC(F)(F)CC1C[NH2+]C(=O)OC(C)(C)C
InChIInChI=1S/C12H22F2N2O2/c1-8-9(5-12(13,14)7-16-8)6-15-10(17)18-11(2,3)4/h8-9,16H,5-7H2,1-4H3,(H,15,17)/p+1
InChIKeyJXIBHPJSSRHVGU-UHFFFAOYSA-O
MW265.32 g/mol
LogP1.12
Rot. Bonds2

About (5,5-difluoro-2-methylpiperidin-3-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium

(5,5-difluoro-2-methylpiperidin-3-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium (PubChem CID 153331460) has the molecular formula C12H23F2N2O2+ and a molecular weight of 265.32 g/mol. Its IUPAC name is (5,5-difluoro-2-methylpiperidin-3-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium.

Molecular Properties

Compound Name(5,5-difluoro-2-methylpiperidin-3-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium
PubChem CID153331460
Molecular FormulaC12H23F2N2O2+
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name(5,5-difluoro-2-methylpiperidin-3-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium
SMILESCC1NCC(F)(F)CC1C[NH2+]C(=O)OC(C)(C)C
InChIInChI=1S/C12H22F2N2O2/c1-8-9(5-12(13,14)7-16-8)6-15-10(17)18-11(2,3)4/h8-9,16H,5-7H2,1-4H3,(H,15,17)/p+1
InChIKeyJXIBHPJSSRHVGU-UHFFFAOYSA-O
XLogP1.12
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,5-difluoro-2-methylpiperidin-3-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium?
The IUPAC name of (5,5-difluoro-2-methylpiperidin-3-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium (CID 153331460) is (5,5-difluoro-2-methylpiperidin-3-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium.
What is the SMILES notation for (5,5-difluoro-2-methylpiperidin-3-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium?
The canonical SMILES for (5,5-difluoro-2-methylpiperidin-3-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium is CC1NCC(F)(F)CC1C[NH2+]C(=O)OC(C)(C)C.
What is the InChIKey of (5,5-difluoro-2-methylpiperidin-3-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium?
The InChIKey is JXIBHPJSSRHVGU-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H22F2N2O2/c1-8-9(5-12(13,14)7-16-8)6-15-10(17)18-11(2,3)4/h8-9,16H,5-7H2,1-4H3,(H,15,17)/p+1.
What are the key properties of (5,5-difluoro-2-methylpiperidin-3-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium?
(5,5-difluoro-2-methylpiperidin-3-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium has a molecular weight of 265.32 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-difluoro-2-methylpiperidin-3-yl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]azanium is sourced from PubChem (CID 153331460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).