tert-butyl N-[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate

C15H26F2N2O3 — CID 154466864

IUPACtert-butyl N-[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C2CCOCC2F)CC1F
InChIInChI=1S/C15H26F2N2O3/c1-15(2,3)22-14(20)18-12-4-6-19(8-10(12)16)13-5-7-21-9-11(13)17/h10-13H,4-9H2,1-3H3,(H,18,20)
InChIKeyZKUKGIYWYSGUPF-UHFFFAOYSA-N
MW320.38 g/mol
LogP2.05
Rot. Bonds2

About tert-butyl N-[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate

tert-butyl N-[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate (PubChem CID 154466864) has the molecular formula C15H26F2N2O3 and a molecular weight of 320.38 g/mol. Its IUPAC name is tert-butyl N-[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate
PubChem CID154466864
Molecular FormulaC15H26F2N2O3
Molecular Weight320.38 g/mol
Exact Mass320.19
IUPAC Nametert-butyl N-[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C2CCOCC2F)CC1F
InChIInChI=1S/C15H26F2N2O3/c1-15(2,3)22-14(20)18-12-4-6-19(8-10(12)16)13-5-7-21-9-11(13)17/h10-13H,4-9H2,1-3H3,(H,18,20)
InChIKeyZKUKGIYWYSGUPF-UHFFFAOYSA-N
XLogP2.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate (CID 154466864) is tert-butyl N-[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C2CCOCC2F)CC1F.
What is the InChIKey of tert-butyl N-[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate?
The InChIKey is ZKUKGIYWYSGUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O3/c1-15(2,3)22-14(20)18-12-4-6-19(8-10(12)16)13-5-7-21-9-11(13)17/h10-13H,4-9H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate?
tert-butyl N-[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate has a molecular weight of 320.38 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-fluoro-1-(3-fluorooxan-4-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 154466864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).