tert-butyl N-[(3R,4R)-3-fluorooxan-4-yl]-N-piperidin-4-ylcarbamate

C15H27FN2O3 — CID 67193021

IUPACtert-butyl N-[(3R,4R)-3-fluorooxan-4-yl]-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(C1CCNCC1)[C@@H]1CCOC[C@@H]1F
InChIInChI=1S/C15H27FN2O3/c1-15(2,3)21-14(19)18(11-4-7-17-8-5-11)13-6-9-20-10-12(13)16/h11-13,17H,4-10H2,1-3H3/t12-,13+/m0/s1
InChIKeyJGQOFZPNAUWVMG-QWHCGFSZSA-N
MW302.39 g/mol
LogP2.10
Rot. Bonds2

About tert-butyl N-[(3R,4R)-3-fluorooxan-4-yl]-N-piperidin-4-ylcarbamate

tert-butyl N-[(3R,4R)-3-fluorooxan-4-yl]-N-piperidin-4-ylcarbamate (PubChem CID 67193021) has the molecular formula C15H27FN2O3 and a molecular weight of 302.39 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R)-3-fluorooxan-4-yl]-N-piperidin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4R)-3-fluorooxan-4-yl]-N-piperidin-4-ylcarbamate
PubChem CID67193021
Molecular FormulaC15H27FN2O3
Molecular Weight302.39 g/mol
Exact Mass302.20
IUPAC Nametert-butyl N-[(3R,4R)-3-fluorooxan-4-yl]-N-piperidin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(C1CCNCC1)[C@@H]1CCOC[C@@H]1F
InChIInChI=1S/C15H27FN2O3/c1-15(2,3)21-14(19)18(11-4-7-17-8-5-11)13-6-9-20-10-12(13)16/h11-13,17H,4-10H2,1-3H3/t12-,13+/m0/s1
InChIKeyJGQOFZPNAUWVMG-QWHCGFSZSA-N
XLogP2.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4R)-3-fluorooxan-4-yl]-N-piperidin-4-ylcarbamate?
The IUPAC name of tert-butyl N-[(3R,4R)-3-fluorooxan-4-yl]-N-piperidin-4-ylcarbamate (CID 67193021) is tert-butyl N-[(3R,4R)-3-fluorooxan-4-yl]-N-piperidin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-[(3R,4R)-3-fluorooxan-4-yl]-N-piperidin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-[(3R,4R)-3-fluorooxan-4-yl]-N-piperidin-4-ylcarbamate is CC(C)(C)OC(=O)N(C1CCNCC1)[C@@H]1CCOC[C@@H]1F.
What is the InChIKey of tert-butyl N-[(3R,4R)-3-fluorooxan-4-yl]-N-piperidin-4-ylcarbamate?
The InChIKey is JGQOFZPNAUWVMG-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H27FN2O3/c1-15(2,3)21-14(19)18(11-4-7-17-8-5-11)13-6-9-20-10-12(13)16/h11-13,17H,4-10H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of tert-butyl N-[(3R,4R)-3-fluorooxan-4-yl]-N-piperidin-4-ylcarbamate?
tert-butyl N-[(3R,4R)-3-fluorooxan-4-yl]-N-piperidin-4-ylcarbamate has a molecular weight of 302.39 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4R)-3-fluorooxan-4-yl]-N-piperidin-4-ylcarbamate is sourced from PubChem (CID 67193021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).