tert-butyl 4-[(3,3-difluorocyclobutyl)amino]piperidine-1-carboxylate

C14H24F2N2O2 — CID 145452899

IUPACtert-butyl 4-[(3,3-difluorocyclobutyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC2CC(F)(F)C2)CC1
InChIInChI=1S/C14H24F2N2O2/c1-13(2,3)20-12(19)18-6-4-10(5-7-18)17-11-8-14(15,16)9-11/h10-11,17H,4-9H2,1-3H3
InChIKeyOWGZQWBWFBLDIH-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.77
Rot. Bonds2

About tert-butyl 4-[(3,3-difluorocyclobutyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(3,3-difluorocyclobutyl)amino]piperidine-1-carboxylate (PubChem CID 145452899) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is tert-butyl 4-[(3,3-difluorocyclobutyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3,3-difluorocyclobutyl)amino]piperidine-1-carboxylate
PubChem CID145452899
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC Nametert-butyl 4-[(3,3-difluorocyclobutyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC2CC(F)(F)C2)CC1
InChIInChI=1S/C14H24F2N2O2/c1-13(2,3)20-12(19)18-6-4-10(5-7-18)17-11-8-14(15,16)9-11/h10-11,17H,4-9H2,1-3H3
InChIKeyOWGZQWBWFBLDIH-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3,3-difluorocyclobutyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3,3-difluorocyclobutyl)amino]piperidine-1-carboxylate (CID 145452899) is tert-butyl 4-[(3,3-difluorocyclobutyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3,3-difluorocyclobutyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3,3-difluorocyclobutyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC2CC(F)(F)C2)CC1.
What is the InChIKey of tert-butyl 4-[(3,3-difluorocyclobutyl)amino]piperidine-1-carboxylate?
The InChIKey is OWGZQWBWFBLDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c1-13(2,3)20-12(19)18-6-4-10(5-7-18)17-11-8-14(15,16)9-11/h10-11,17H,4-9H2,1-3H3.
What are the key properties of tert-butyl 4-[(3,3-difluorocyclobutyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(3,3-difluorocyclobutyl)amino]piperidine-1-carboxylate has a molecular weight of 290.35 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3,3-difluorocyclobutyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 145452899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).