tert-butyl 4-(2,2-difluorocyclopropyl)piperidine-1-carboxylate

C13H21F2NO2 — CID 134970056

IUPACtert-butyl 4-(2,2-difluorocyclopropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CC2(F)F)CC1
InChIInChI=1S/C13H21F2NO2/c1-12(2,3)18-11(17)16-6-4-9(5-7-16)10-8-13(10,14)15/h9-10H,4-8H2,1-3H3
InChIKeyJDBLXLPYXLENFM-UHFFFAOYSA-N
MW261.31 g/mol
LogP3.29
Rot. Bonds1

About tert-butyl 4-(2,2-difluorocyclopropyl)piperidine-1-carboxylate

tert-butyl 4-(2,2-difluorocyclopropyl)piperidine-1-carboxylate (PubChem CID 134970056) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is tert-butyl 4-(2,2-difluorocyclopropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,2-difluorocyclopropyl)piperidine-1-carboxylate
PubChem CID134970056
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC Nametert-butyl 4-(2,2-difluorocyclopropyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CC2(F)F)CC1
InChIInChI=1S/C13H21F2NO2/c1-12(2,3)18-11(17)16-6-4-9(5-7-16)10-8-13(10,14)15/h9-10H,4-8H2,1-3H3
InChIKeyJDBLXLPYXLENFM-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,2-difluorocyclopropyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,2-difluorocyclopropyl)piperidine-1-carboxylate (CID 134970056) is tert-butyl 4-(2,2-difluorocyclopropyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,2-difluorocyclopropyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,2-difluorocyclopropyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2CC2(F)F)CC1.
What is the InChIKey of tert-butyl 4-(2,2-difluorocyclopropyl)piperidine-1-carboxylate?
The InChIKey is JDBLXLPYXLENFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO2/c1-12(2,3)18-11(17)16-6-4-9(5-7-16)10-8-13(10,14)15/h9-10H,4-8H2,1-3H3.
What are the key properties of tert-butyl 4-(2,2-difluorocyclopropyl)piperidine-1-carboxylate?
tert-butyl 4-(2,2-difluorocyclopropyl)piperidine-1-carboxylate has a molecular weight of 261.31 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,2-difluorocyclopropyl)piperidine-1-carboxylate is sourced from PubChem (CID 134970056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).