tert-butyl N-(3,3-difluoro-4-methylpiperidin-4-yl)carbamate

C11H20F2N2O2 — CID 84803909

IUPACtert-butyl N-(3,3-difluoro-4-methylpiperidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1(C)CCNCC1(F)F
InChIInChI=1S/C11H20F2N2O2/c1-9(2,3)17-8(16)15-10(4)5-6-14-7-11(10,12)13/h14H,5-7H2,1-4H3,(H,15,16)
InChIKeyKNOOEDGFEUTYSP-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.90
Rot. Bonds1

About tert-butyl N-(3,3-difluoro-4-methylpiperidin-4-yl)carbamate

tert-butyl N-(3,3-difluoro-4-methylpiperidin-4-yl)carbamate (PubChem CID 84803909) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is tert-butyl N-(3,3-difluoro-4-methylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3,3-difluoro-4-methylpiperidin-4-yl)carbamate
PubChem CID84803909
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Nametert-butyl N-(3,3-difluoro-4-methylpiperidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1(C)CCNCC1(F)F
InChIInChI=1S/C11H20F2N2O2/c1-9(2,3)17-8(16)15-10(4)5-6-14-7-11(10,12)13/h14H,5-7H2,1-4H3,(H,15,16)
InChIKeyKNOOEDGFEUTYSP-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3,3-difluoro-4-methylpiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(3,3-difluoro-4-methylpiperidin-4-yl)carbamate (CID 84803909) is tert-butyl N-(3,3-difluoro-4-methylpiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3,3-difluoro-4-methylpiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(3,3-difluoro-4-methylpiperidin-4-yl)carbamate is CC(C)(C)OC(=O)NC1(C)CCNCC1(F)F.
What is the InChIKey of tert-butyl N-(3,3-difluoro-4-methylpiperidin-4-yl)carbamate?
The InChIKey is KNOOEDGFEUTYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-9(2,3)17-8(16)15-10(4)5-6-14-7-11(10,12)13/h14H,5-7H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-(3,3-difluoro-4-methylpiperidin-4-yl)carbamate?
tert-butyl N-(3,3-difluoro-4-methylpiperidin-4-yl)carbamate has a molecular weight of 250.29 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3,3-difluoro-4-methylpiperidin-4-yl)carbamate is sourced from PubChem (CID 84803909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).